 Entering Gaussian System, Link 0=g16
 Input=05_alphapinene_STD_B3LYPDBJ-augccpVDZr.in
 Output=05_alphapinene_STD_B3LYPDBJ-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/05_alphapinene_STD/Gau-34523.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/05_alphapinene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     34527.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=05_alphapinene_STD_B3LYPDBJ-augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 18:09:40 2021, MaxMem= 10737418240 cpu:               2.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "05_alphapinene_STD_B3LYPDBJ-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.503651000000      0.908216000000      0.507488000000
  C                                                 0.290384000000      1.804712000000      0.536372000000
  C                                                 1.436486000000     -0.280373000000     -0.092333000000
  C                                                 2.556356000000     -1.268228000000     -0.145852000000
  C                                                 0.123938000000     -0.632595000000     -0.761632000000
  C                                                -1.078310000000     -0.328744000000      0.207184000000
  C                                                -0.867453000000      1.159910000000     -0.235542000000
  C                                                -0.320490000000      0.612788000000     -1.578519000000
  H                                                 2.411320000000      1.240625000000      0.999510000000
  H                                                 0.526867000000      2.781351000000      0.099045000000
  H                                                -0.005727000000      2.005386000000      1.572636000000
  H                                                 3.449206000000     -0.892879000000      0.355226000000
  H                                                 2.817419000000     -1.510836000000     -1.180937000000
  H                                                 2.264835000000     -2.210108000000      0.330473000000
  H                                                 0.146974000000     -1.606808000000     -1.251700000000
  C                                                -0.951378000000     -0.684230000000      1.680802000000
  C                                                -2.395364000000     -0.902700000000     -0.314912000000
  H                                                -1.749053000000      1.803451000000     -0.256178000000
  H                                                -1.103985000000      0.399461000000     -2.300386000000
  H                                                 0.473946000000      1.180887000000     -2.060869000000
  H                                                -0.016390000000     -0.343402000000      2.118644000000
  H                                                -1.008073000000     -1.767780000000      1.815303000000
  H                                                -1.775477000000     -0.242117000000      2.247181000000
  H                                                -2.569985000000     -0.690863000000     -1.368440000000
  H                                                -3.236117000000     -0.490937000000      0.249338000000
  H                                                -2.412689000000     -1.987970000000     -0.187175000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1
 NAtoms=     26 NQM=       26 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1          12          12           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           0           0           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Thu Jul  8 18:09:41 2021, MaxMem= 10737418240 cpu:               2.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.503651    0.908216    0.507488
      2          6           0        0.290384    1.804712    0.536372
      3          6           0        1.436486   -0.280373   -0.092333
      4          6           0        2.556356   -1.268228   -0.145852
      5          6           0        0.123938   -0.632595   -0.761632
      6          6           0       -1.078310   -0.328744    0.207184
      7          6           0       -0.867453    1.159910   -0.235542
      8          6           0       -0.320490    0.612788   -1.578519
      9          1           0        2.411320    1.240625    0.999510
     10          1           0        0.526867    2.781351    0.099045
     11          1           0       -0.005727    2.005386    1.572636
     12          1           0        3.449206   -0.892879    0.355226
     13          1           0        2.817419   -1.510836   -1.180937
     14          1           0        2.264835   -2.210108    0.330473
     15          1           0        0.146974   -1.606808   -1.251700
     16          6           0       -0.951378   -0.684230    1.680802
     17          6           0       -2.395364   -0.902700   -0.314912
     18          1           0       -1.749053    1.803451   -0.256178
     19          1           0       -1.103985    0.399461   -2.300386
     20          1           0        0.473946    1.180887   -2.060869
     21          1           0       -0.016390   -0.343402    2.118644
     22          1           0       -1.008073   -1.767780    1.815303
     23          1           0       -1.775477   -0.242117    2.247181
     24          1           0       -2.569985   -0.690863   -1.368440
     25          1           0       -3.236117   -0.490937    0.249338
     26          1           0       -2.412689   -1.987970   -0.187175
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.508826   0.000000
     3  C    1.333057   2.460975   0.000000
     4  C    2.504386   3.878533   1.494266   0.000000
     5  C    2.426597   2.766403   1.514861   2.588411   0.000000
     6  C    2.878676   2.556036   2.533032   3.770684   1.573636
     7  C    2.497514   1.533691   2.720856   4.198377   2.114876
     8  C    2.786789   2.503321   2.468491   3.723842   1.554284
     9  H    1.084640   2.243003   2.110890   2.761745   3.441321
    10  H    2.151643   1.095903   3.199717   4.536286   3.543747
    11  H    2.148614   1.096264   3.174397   4.498224   3.524849
    12  H    2.655619   4.157880   2.150933   1.090480   3.517460
    13  H    3.229331   4.508649   2.146177   1.094721   2.863907
    14  H    3.214760   4.478798   2.142149   1.094992   2.874836
    15  H    3.355691   3.854379   2.183209   2.672575   1.090774
    16  C    3.152732   3.007744   3.001500   3.997739   2.669167
    17  C    4.376994   3.907430   3.888432   4.968070   2.572819
    18  H    3.459005   2.188022   3.810095   5.289984   3.114145
    19  H    3.865586   3.459218   3.433899   4.563036   2.222768
    20  H    2.780485   2.677408   2.633799   3.741909   2.258150
    21  H    2.544189   2.685533   2.646364   3.549967   2.898157
    22  H    3.896164   4.010530   3.439088   4.098882   3.034912
    23  H    3.886191   3.374042   3.973851   5.054136   3.579554
    24  H    4.761373   4.247107   4.224779   5.301645   2.762034
    25  H    4.948704   4.217654   4.689808   5.857738   3.511709
    26  H    4.920180   4.713233   4.212010   5.021070   2.932835
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.567341   0.000000
     8  C    2.156272   1.549870   0.000000
     9  H    3.907457   3.504600   3.808307   0.000000
    10  H    3.501568   2.164520   2.869652   2.595349   0.000000
    11  H    2.909133   2.174146   3.459506   2.599125   1.748499
    12  H    4.564928   4.816274   4.496333   2.458485   4.701666
    13  H    4.301270   4.648111   3.809767   3.534092   5.030691
    14  H    3.838144   4.635582   4.277487   3.518043   5.290440
    15  H    2.294147   3.117109   2.291711   4.278210   4.607035
    16  C    1.521194   2.660878   3.564190   3.934077   4.086247
    17  C    1.528608   2.568107   2.863304   5.424551   4.720490
    18  H    2.282730   1.091691   2.281898   4.382035   2.502456
    19  H    2.611293   2.213100   1.086492   4.894307   3.753711
    20  H    3.135690   2.265306   1.089278   3.622555   2.688776
    21  H    2.186680   2.920008   3.830899   3.107310   3.760052
    22  H    2.159121   3.577305   4.202131   4.626907   5.098644
    23  H    2.157576   2.992340   4.181367   4.613510   4.365391
    24  H    2.199731   2.758158   2.608422   5.843906   4.878553
    25  H    2.164305   2.927623   3.613883   5.954377   4.989039
    26  H    2.165437   3.507028   3.616224   5.924788   5.609753
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.671037   0.000000
    13  H    5.283572   1.772237   0.000000
    14  H    4.946596   1.771564   1.754620   0.000000
    15  H    4.587825   3.741209   2.673106   2.711564   0.000000
    16  C    2.853067   4.600633   4.803817   3.807324   3.264521
    17  C    4.210720   5.882872   5.319110   4.882959   2.799433
    18  H    2.534664   5.887776   5.717722   5.706497   4.026891
    19  H    4.334220   5.427151   4.503311   5.008015   2.586456
    20  H    3.756627   4.357774   3.675802   4.519364   2.921114
    21  H    2.411440   3.927076   4.503400   3.447627   3.603068
    22  H    3.911568   4.771228   4.865990   3.621091   3.281243
    23  H    2.939098   5.594667   5.869952   4.885783   4.219048
    24  H    4.742901   6.264383   5.452672   5.345081   2.869573
    25  H    4.291639   6.698232   6.303267   5.763905   3.865694
    26  H    4.983703   5.987924   5.345021   4.711320   2.798280
                   16         17         18         19         20
    16  C    0.000000
    17  C    2.472994   0.000000
    18  H    3.252189   2.782880   0.000000
    19  H    4.128866   2.702848   2.562438   0.000000
    20  H    4.417048   3.952549   2.930225   1.777037   0.000000
    21  H    1.087231   3.448844   3.640176   4.611132   4.475736
    22  H    1.093337   2.685285   4.194494   4.652422   5.090749
    23  H    1.093338   2.717527   3.232933   4.641432   5.064004
    24  H    3.452218   1.088710   2.851782   2.050972   3.639838
    25  H    2.703051   1.093066   2.780490   3.440914   4.679382
    26  H    2.706382   1.092899   3.849681   3.446476   4.678146
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.761903   0.000000
    23  H    1.766683   1.761555   0.000000
    24  H    4.336050   3.706149   3.728985   0.000000
    25  H    3.725951   3.007782   2.487319   1.760939   0.000000
    26  H    3.709940   2.455880   3.062700   1.761424   1.763430
                   26
    26  H    0.000000
 Stoichiometry    C10H16
 Framework group  C1[X(C10H16)]
 Deg. of freedom    72
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.93D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.503651    0.908216    0.507488
      2          6           0        0.290384    1.804712    0.536372
      3          6           0        1.436486   -0.280373   -0.092333
      4          6           0        2.556356   -1.268228   -0.145852
      5          6           0        0.123938   -0.632595   -0.761632
      6          6           0       -1.078310   -0.328744    0.207184
      7          6           0       -0.867453    1.159910   -0.235542
      8          6           0       -0.320490    0.612788   -1.578519
      9          1           0        2.411320    1.240625    0.999510
     10          1           0        0.526867    2.781351    0.099045
     11          1           0       -0.005727    2.005386    1.572636
     12          1           0        3.449206   -0.892879    0.355226
     13          1           0        2.817419   -1.510836   -1.180937
     14          1           0        2.264835   -2.210108    0.330473
     15          1           0        0.146974   -1.606808   -1.251700
     16          6           0       -0.951378   -0.684230    1.680802
     17          6           0       -2.395364   -0.902700   -0.314912
     18          1           0       -1.749053    1.803451   -0.256178
     19          1           0       -1.103985    0.399461   -2.300386
     20          1           0        0.473946    1.180887   -2.060869
     21          1           0       -0.016390   -0.343402    2.118644
     22          1           0       -1.008073   -1.767780    1.815303
     23          1           0       -1.775477   -0.242117    2.247181
     24          1           0       -2.569985   -0.690863   -1.368440
     25          1           0       -3.236117   -0.490937    0.249338
     26          1           0       -2.412689   -1.987970   -0.187175
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.9468256           1.2329030           1.1311138
 Leave Link  202 at Thu Jul  8 18:09:41 2021, MaxMem= 10737418240 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     18     19     20
 Centers:      21     22     23     24     25     26
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     16     17
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  30 primitive shells out of 408 were deleted.
 There are   394 symmetry adapted cartesian basis functions of A   symmetry.
 There are   374 symmetry adapted basis functions of A   symmetry.
   374 basis functions,   662 primitive gaussians,   394 cartesian basis functions
    38 alpha electrons       38 beta electrons
       nuclear repulsion energy       568.6660221298 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   26 NActive=   26 NUniq=   26 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0486018588 Hartrees.
 Nuclear repulsion after empirical dispersion term =      568.6174202710 Hartrees.
 Leave Link  301 at Thu Jul  8 18:09:44 2021, MaxMem= 10737418240 cpu:              33.9 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   374 RedAO= T EigKep=  2.65D-06  NBF=   374
 NBsUse=   374 1.00D-06 EigRej= -1.00D+00 NBFU=   374
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   394   394   394   394   394 MxSgAt=    26 MxSgA2=    26.
 Leave Link  302 at Thu Jul  8 18:09:45 2021, MaxMem= 10737418240 cpu:              10.2 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 18:09:45 2021, MaxMem= 10737418240 cpu:               1.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "05_alphapinene_STD_B3LYPDBJ-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 18:09:46 2021, MaxMem= 10737418240 cpu:              10.3 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737097578 LenY= 10736941901
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -390.741170517850    
 DIIS: error= 1.42D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -390.741170517850     IErMin= 1 ErrMin= 1.42D-03
 ErrMax= 1.42D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.35D-03 BMatP= 4.35D-03
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.42D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.242 Goal=   None    Shift=    0.000
 GapD=    0.242 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.07D-02 MaxDP=6.30D+00              OVMax= 8.07D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.73D-02    CP:  1.92D+00
 E= -390.744635981979     Delta-E=       -0.003465464129 Rises=F Damp=F
 DIIS: error= 1.65D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -390.744635981979     IErMin= 2 ErrMin= 1.65D-04
 ErrMax= 1.65D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.15D-05 BMatP= 4.35D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.65D-03
 Coeff-Com:  0.516D-02 0.995D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.515D-02 0.995D+00
 Gap=     0.216 Goal=   None    Shift=    0.000
 RMSDP=1.48D-03 MaxDP=2.19D-01 DE=-3.47D-03 OVMax= 2.28D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.89D-04    CP:  1.94D+00  1.03D+00
 E= -390.744628959541     Delta-E=        0.000007022438 Rises=F Damp=F
 DIIS: error= 2.10D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -390.744635981979     IErMin= 2 ErrMin= 1.65D-04
 ErrMax= 2.10D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.80D-05 BMatP= 3.15D-05
 IDIUse=3 WtCom= 4.08D-01 WtEn= 5.92D-01
 Coeff-Com: -0.653D-02 0.526D+00 0.480D+00
 Coeff-En:   0.000D+00 0.549D+00 0.451D+00
 Coeff:     -0.267D-02 0.540D+00 0.463D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=1.66D-04 MaxDP=9.64D-03 DE= 7.02D-06 OVMax= 1.12D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.64D-05    CP:  1.94D+00  1.03D+00  8.97D-01
 E= -390.744668912416     Delta-E=       -0.000039952874 Rises=F Damp=F
 DIIS: error= 3.59D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -390.744668912416     IErMin= 4 ErrMin= 3.59D-05
 ErrMax= 3.59D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.09D-07 BMatP= 3.15D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.257D-02 0.126D+00 0.169D+00 0.707D+00
 Coeff:     -0.257D-02 0.126D+00 0.169D+00 0.707D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=3.28D-05 MaxDP=3.63D-03 DE=-4.00D-05 OVMax= 1.99D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.86D-05    CP:  1.94D+00  1.03D+00  9.20D-01  9.39D-01
 E= -390.744669425658     Delta-E=       -0.000000513242 Rises=F Damp=F
 DIIS: error= 1.23D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -390.744669425658     IErMin= 5 ErrMin= 1.23D-05
 ErrMax= 1.23D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.41D-07 BMatP= 7.09D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.878D-03 0.160D-01 0.502D-01 0.412D+00 0.523D+00
 Coeff:     -0.878D-03 0.160D-01 0.502D-01 0.412D+00 0.523D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=1.30D-05 MaxDP=1.24D-03 DE=-5.13D-07 OVMax= 9.34D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.12D-06    CP:  1.94D+00  1.03D+00  9.20D-01  9.64D-01  7.69D-01
 E= -390.744669651113     Delta-E=       -0.000000225455 Rises=F Damp=F
 DIIS: error= 1.85D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -390.744669651113     IErMin= 6 ErrMin= 1.85D-06
 ErrMax= 1.85D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.41D-09 BMatP= 2.41D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.245D-03 0.155D-02 0.136D-01 0.136D+00 0.192D+00 0.657D+00
 Coeff:     -0.245D-03 0.155D-02 0.136D-01 0.136D+00 0.192D+00 0.657D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=1.54D-06 MaxDP=1.01D-04 DE=-2.25D-07 OVMax= 4.76D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.34D-06    CP:  1.94D+00  1.03D+00  9.21D-01  9.65D-01  7.72D-01
                    CP:  9.65D-01
 E= -390.744669652750     Delta-E=       -0.000000001637 Rises=F Damp=F
 DIIS: error= 1.46D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -390.744669652750     IErMin= 7 ErrMin= 1.46D-06
 ErrMax= 1.46D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.90D-09 BMatP= 3.41D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.595D-04-0.624D-03 0.307D-02 0.400D-01 0.586D-01 0.433D+00
 Coeff-Com:  0.466D+00
 Coeff:     -0.595D-04-0.624D-03 0.307D-02 0.400D-01 0.586D-01 0.433D+00
 Coeff:      0.466D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=7.09D-07 MaxDP=6.44D-05 DE=-1.64D-09 OVMax= 2.50D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.94D-07    CP:  1.94D+00  1.03D+00  9.21D-01  9.65D-01  7.66D-01
                    CP:  9.60D-01  7.43D-01
 E= -390.744669654714     Delta-E=       -0.000000001965 Rises=F Damp=F
 DIIS: error= 2.44D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -390.744669654714     IErMin= 8 ErrMin= 2.44D-07
 ErrMax= 2.44D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.30D-11 BMatP= 1.90D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.426D-05-0.367D-03 0.652D-04 0.505D-02 0.622D-02 0.129D+00
 Coeff-Com:  0.212D+00 0.648D+00
 Coeff:     -0.426D-05-0.367D-03 0.652D-04 0.505D-02 0.622D-02 0.129D+00
 Coeff:      0.212D+00 0.648D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=1.69D-07 MaxDP=1.18D-05 DE=-1.96D-09 OVMax= 3.70D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.32D-07    CP:  1.94D+00  1.03D+00  9.21D-01  9.65D-01  7.66D-01
                    CP:  9.64D-01  7.32D-01  8.31D-01
 E= -390.744669654782     Delta-E=       -0.000000000068 Rises=F Damp=F
 DIIS: error= 7.96D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -390.744669654782     IErMin= 9 ErrMin= 7.96D-08
 ErrMax= 7.96D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.56D-12 BMatP= 6.30D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.251D-05-0.162D-03-0.234D-03-0.517D-03-0.150D-02 0.375D-01
 Coeff-Com:  0.794D-01 0.347D+00 0.539D+00
 Coeff:      0.251D-05-0.162D-03-0.234D-03-0.517D-03-0.150D-02 0.375D-01
 Coeff:      0.794D-01 0.347D+00 0.539D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=6.07D-08 MaxDP=7.10D-06 DE=-6.80D-11 OVMax= 6.31D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.05D-08    CP:  1.94D+00  1.03D+00  9.21D-01  9.65D-01  7.67D-01
                    CP:  9.66D-01  7.37D-01  8.61D-01  8.70D-01
 E= -390.744669654769     Delta-E=        0.000000000014 Rises=F Damp=F
 DIIS: error= 1.26D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -390.744669654782     IErMin=10 ErrMin= 1.26D-08
 ErrMax= 1.26D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.90D-13 BMatP= 7.56D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.107D-05-0.418D-04-0.928D-04-0.455D-03-0.915D-03 0.796D-02
 Coeff-Com:  0.192D-01 0.101D+00 0.211D+00 0.663D+00
 Coeff:      0.107D-05-0.418D-04-0.928D-04-0.455D-03-0.915D-03 0.796D-02
 Coeff:      0.192D-01 0.101D+00 0.211D+00 0.663D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=1.07D-08 MaxDP=9.78D-07 DE= 1.36D-11 OVMax= 1.30D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  8.22D-09    CP:  1.94D+00  1.03D+00  9.21D-01  9.65D-01  7.67D-01
                    CP:  9.66D-01  7.38D-01  8.67D-01  8.83D-01  9.36D-01
 E= -390.744669654769     Delta-E=       -0.000000000000 Rises=F Damp=F
 DIIS: error= 3.77D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin= 9 EnMin= -390.744669654782     IErMin=11 ErrMin= 3.77D-09
 ErrMax= 3.77D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.70D-14 BMatP= 1.90D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.292D-06-0.747D-05-0.245D-04-0.163D-03-0.297D-03 0.978D-03
 Coeff-Com:  0.273D-02 0.194D-01 0.510D-01 0.278D+00 0.648D+00
 Coeff:      0.292D-06-0.747D-05-0.245D-04-0.163D-03-0.297D-03 0.978D-03
 Coeff:      0.273D-02 0.194D-01 0.510D-01 0.278D+00 0.648D+00
 Gap=     0.217 Goal=   None    Shift=    0.000
 RMSDP=2.90D-09 MaxDP=1.60D-07 DE=-3.41D-13 OVMax= 3.82D-08

 SCF Done:  E(RB3LYP) =  -390.744669655     A.U. after   11 cycles
            NFock= 11  Conv=0.29D-08     -V/T= 2.0062
 KE= 3.883318608456D+02 PE=-2.041488104750D+03 EE= 6.937941539787D+02
 Leave Link  502 at Thu Jul  8 18:12:22 2021, MaxMem= 10737418240 cpu:            2487.6 elap:             155.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   374
 NBasis=   374 NAE=    38 NBE=    38 NFC=     0 NFV=     0
 NROrb=    374 NOA=    38 NOB=    38 NVA=   336 NVB=   336

 **** Warning!!: The largest alpha MO coefficient is  0.99324201D+02

 Leave Link  801 at Thu Jul  8 18:12:23 2021, MaxMem= 10737418240 cpu:               1.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8043 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          26
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.13D-13 8.33D-09 XBig12= 1.00D+00 4.56D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.13D-13 8.33D-09 XBig12= 3.76D-01 1.10D-01.
     11 vectors produced by pass  2 Test12= 2.13D-13 8.33D-09 XBig12= 7.50D-02 7.16D-02.
     11 vectors produced by pass  3 Test12= 2.13D-13 8.33D-09 XBig12= 2.82D-03 1.27D-02.
     11 vectors produced by pass  4 Test12= 2.13D-13 8.33D-09 XBig12= 2.58D-04 3.04D-03.
     11 vectors produced by pass  5 Test12= 2.13D-13 8.33D-09 XBig12= 2.52D-05 1.03D-03.
     11 vectors produced by pass  6 Test12= 2.13D-13 8.33D-09 XBig12= 6.91D-07 2.26D-04.
     11 vectors produced by pass  7 Test12= 2.13D-13 8.33D-09 XBig12= 1.41D-08 3.74D-05.
     11 vectors produced by pass  8 Test12= 2.13D-13 8.33D-09 XBig12= 2.14D-10 3.41D-06.
      8 vectors produced by pass  9 Test12= 2.13D-13 8.33D-09 XBig12= 2.06D-12 1.68D-07.
      1 vectors produced by pass 10 Test12= 2.13D-13 8.33D-09 XBig12= 4.98D-14 1.80D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   108 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.126564D+03
      2 -0.650364D+00  0.122888D+03
      3  0.428253D+00  0.482853D+01  0.109974D+03
 Isotropic polarizability for W=    0.093368      119.81 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1   0.128958D+02 -0.412206D+02  0.814768D+00
      2   0.530143D+01  0.213293D+02  0.823860D+01
      3  -0.181972D+02  0.198913D+02 -0.905337D+01
      4  -0.413192D+02  0.371399D+02  0.278844D+02
      5   0.140612D+02  0.252199D+02 -0.204235D+02
      6   0.106095D+02  0.187952D+02  0.706765D+00
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.216556D+00  0.290029D+01  0.532548D+01
      2   0.463234D+01  0.162299D+02 -0.366156D+01
      3   0.844516D+01 -0.245479D+02 -0.155051D+02
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.266448D+01  0.105566D+02  0.191846D+02
      2  -0.132464D+02  0.172749D+02 -0.222630D+01
      3  -0.986424D-01 -0.318385D+02 -0.146104D+02
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.303689D+00 -0.221939D+01 -0.105692D+01
      2  -0.221939D+01 -0.354209D+01  0.279427D+01
      3  -0.105692D+01  0.279427D+01  0.435408D+01
 OR G Eigenvalues:    -5.1369    -0.0907     5.7360  Iso=    -0.1694
 Eigenvectors:
   (1)   0.365479   0.903166  -0.225203
   (2)   0.887293  -0.264920   0.377530
   (3)  -0.281311   0.337801   0.898195
 w=    0.093368 a.u., Optical Rotation Beta=     -0.1694 au.
 Molar Mass =    136.2364 grams/mole, [Alpha] ( 4880.0 A) =      -70.10 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   70125 ScalPx= 1.44D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   70125 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.20D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.55D-14 2.78D-09 XBig12= 1.00D+00 3.85D-01.
     30 vectors produced by pass  1 Test12= 3.55D-14 2.78D-09 XBig12= 2.86D-02 2.18D-02.
     30 vectors produced by pass  2 Test12= 3.55D-14 2.78D-09 XBig12= 6.75D-04 3.99D-03.
     30 vectors produced by pass  3 Test12= 3.55D-14 2.78D-09 XBig12= 1.44D-05 3.56D-04.
     30 vectors produced by pass  4 Test12= 3.55D-14 2.78D-09 XBig12= 1.24D-07 4.10D-05.
     30 vectors produced by pass  5 Test12= 3.55D-14 2.78D-09 XBig12= 4.75D-10 2.21D-06.
     30 vectors produced by pass  6 Test12= 3.55D-14 2.78D-09 XBig12= 1.45D-12 1.33D-07.
      7 vectors produced by pass  7 Test12= 3.55D-14 2.78D-09 XBig12= 7.92D-15 7.44D-09.
      4 vectors produced by pass  8 Test12= 3.55D-14 2.78D-09 XBig12= 1.87D-15 4.55D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   221 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   70125 ScalPx= 7.73D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   70125 ScalPx= 7.73D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   70125 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 7.45D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.126564D+03 -0.650364D+00  0.428253D+00
      2  -0.650364D+00  0.122888D+03  0.482853D+01
      3   0.428253D+00  0.482853D+01  0.109974D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.216556D+00  0.290029D+01  0.532548D+01
      2   0.463234D+01  0.162299D+02 -0.366156D+01
      3   0.844516D+01 -0.245479D+02 -0.155051D+02
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.128958D+02 -0.412206D+02  0.814768D+00
      2   0.530143D+01  0.213293D+02  0.823860D+01
      3  -0.181972D+02  0.198913D+02 -0.905337D+01
      4  -0.413192D+02  0.371399D+02  0.278844D+02
      5   0.140612D+02  0.252199D+02 -0.204235D+02
      6   0.106095D+02  0.187952D+02  0.706765D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.371243D+01  0.247538D+00 -0.183344D+01  0.274965D+01 -0.902055D+00
      2   0.247538D+00 -0.808977D+00 -0.267119D+01 -0.902055D+00  0.170014D+02
      3  -0.183344D+01 -0.267119D+01 -0.218387D+01 -0.233661D+01  0.337681D+01
                 6             7             8             9            10 
      1  -0.233661D+01 -0.123779D+01 -0.327617D+01 -0.186410D+01  0.792149D+00
      2   0.337681D+01 -0.327617D+01  0.262631D+01  0.371650D+01  0.526890D+00
      3   0.349456D+01 -0.186410D+01  0.371650D+01  0.564040D+01  0.364026D+00
                11            12            13            14            15 
      1   0.526890D+00  0.364026D+00  0.162967D+01  0.389279D+00  0.229436D+01
      2   0.107482D+01  0.351583D+01  0.389279D+00 -0.123622D+02  0.273480D+00
      3   0.351583D+01  0.296726D+01  0.229436D+01  0.273480D+00 -0.133710D+01
                16            17            18            19            20 
      1   0.129982D+01  0.334383D+01  0.300503D+01  0.252606D+01 -0.267850D+01
      2   0.334383D+01  0.238642D+01 -0.416393D+01 -0.267850D+01  0.142943D+01
      3   0.300503D+01 -0.416393D+01 -0.600507D+01 -0.508847D+00  0.119021D+01
                21            22            23            24            25 
      1  -0.508847D+00 -0.313225D+01  0.155662D+01  0.157701D+01 -0.128306D+01
      2   0.119021D+01  0.155662D+01 -0.170405D+02 -0.446136D+01  0.648561D+00
      3   0.782606D+00  0.157701D+01 -0.446136D+01 -0.467431D+01  0.170583D+01
                26            27            28            29            30 
      1   0.648561D+00  0.170583D+01 -0.518165D+01 -0.368697D+00 -0.118629D+01
      2  -0.489755D+01 -0.399392D+01 -0.368697D+00 -0.585542D+00 -0.295330D+01
      3  -0.399392D+01 -0.465529D+01 -0.118629D+01 -0.295330D+01 -0.269700D+01
                31            32            33            34            35 
      1  -0.248701D+01 -0.294422D+01 -0.290545D+01 -0.150476D+01 -0.301606D+01
      2  -0.294422D+01  0.106610D+02 -0.264819D+00 -0.301606D+01 -0.684155D+00
      3  -0.290545D+01 -0.264819D+00  0.177170D+01 -0.471247D+01  0.425848D+01
                36            37            38            39            40 
      1  -0.471247D+01  0.528475D+01  0.186314D+01 -0.299455D+01 -0.251081D+01
      2   0.425848D+01  0.186314D+01  0.116715D+01 -0.107752D+01 -0.169240D+00
      3   0.505583D+01 -0.299455D+01 -0.107752D+01  0.424829D+01 -0.207618D+01
                41            42            43            44            45 
      1  -0.169240D+00 -0.207618D+01 -0.691494D+01 -0.116148D+01  0.260721D+01
      2   0.452459D+01  0.441223D+01 -0.116148D+01  0.365058D+01  0.329442D+00
      3   0.441223D+01 -0.200788D+01  0.260721D+01  0.329442D+00  0.335025D+00
                46            47            48            49            50 
      1  -0.456661D+01  0.173985D+01  0.562524D+01  0.394551D+01 -0.185545D+01
      2   0.173985D+01 -0.178332D+01  0.674980D+00 -0.185545D+01 -0.899457D+01
      3   0.562524D+01  0.674980D+00 -0.213890D+01  0.134652D+01  0.170179D+01
                51            52            53            54            55 
      1   0.134652D+01  0.904139D+01  0.103782D+01 -0.164032D+01  0.326096D+01
      2   0.170179D+01  0.103782D+01  0.311070D+01  0.191092D+01 -0.443848D+01
      3   0.119507D+01 -0.164032D+01  0.191092D+01 -0.302552D+01 -0.158681D+01
                56            57            58            59            60 
      1  -0.443848D+01 -0.158681D+01 -0.379314D+01  0.532915D+01 -0.197422D+01
      2   0.485821D+01 -0.150850D+01  0.532915D+01  0.401933D+01 -0.284639D+01
      3  -0.150850D+01 -0.167460D+01 -0.197422D+01 -0.284639D+01  0.368416D+01
                61            62            63            64            65 
      1  -0.190502D+01 -0.196900D+01 -0.175977D+01  0.452905D+00 -0.113733D+01
      2  -0.196900D+01 -0.376496D+01  0.162540D+01 -0.113733D+01 -0.254626D+01
      3  -0.175977D+01  0.162540D+01  0.361701D+01  0.393626D+01  0.421781D+01
                66            67            68            69            70 
      1   0.393626D+01  0.809985D+00 -0.203263D+01  0.492660D+01  0.310834D+01
      2   0.421781D+01 -0.203263D+01  0.138658D+01 -0.100593D+01  0.313558D+01
      3   0.747476D+00  0.492660D+01 -0.100593D+01 -0.902774D+00  0.113960D+01
                71            72            73            74            75 
      1   0.313558D+01  0.113960D+01  0.815791D+01  0.271662D+01  0.352161D+01
      2  -0.898702D+00 -0.162734D+01  0.271662D+01  0.124853D+01  0.141648D+01
      3  -0.162734D+01 -0.438187D+00  0.352161D+01  0.141648D+01  0.233200D+01
                76            77            78            79            80 
      1   0.206333D+01  0.141165D+01  0.101349D+01  0.347567D+01  0.175748D+01
      2   0.141165D+01  0.211345D+01  0.156270D+01  0.175748D+01  0.206545D+01
      3   0.101349D+01  0.156270D+01  0.134933D+01  0.235960D+01  0.879496D+00
                81            82            83            84            85 
      1   0.235960D+01  0.927934D+00  0.141049D+01 -0.361099D+00  0.134542D+01
      2   0.879496D+00  0.141049D+01  0.219375D+01 -0.267763D+00  0.111382D+01
      3   0.135260D+01 -0.361099D+00 -0.267763D+00 -0.146207D+00 -0.291264D+00
                86            87            88            89            90 
      1   0.111382D+01 -0.291264D+00 -0.786841D+00 -0.785883D+00 -0.146171D+00
      2   0.141387D+02 -0.879154D+00 -0.785883D+00 -0.397107D+01  0.220938D+01
      3  -0.879154D+00  0.895893D+00 -0.146171D+00  0.220938D+01  0.838525D-02
                91            92            93            94            95 
      1  -0.127655D+01  0.771329D+00  0.146035D+01  0.188561D+00 -0.779724D+00
      2   0.771329D+00 -0.826950D+00 -0.130084D+01 -0.779724D+00  0.376247D+01
      3   0.146035D+01 -0.130084D+01 -0.192911D+01 -0.581311D+00  0.215259D+01
                96            97            98            99           100 
      1  -0.581311D+00  0.163957D+01 -0.160096D+01 -0.187092D+01  0.914389D+01
      2   0.215259D+01 -0.160096D+01  0.377794D+01  0.471004D+01 -0.164872D+00
      3   0.177654D+01 -0.187092D+01  0.471004D+01  0.850524D+01  0.219015D+01
               101           102           103           104           105 
      1  -0.164872D+00  0.219015D+01  0.322823D+01  0.576693D+00  0.707832D+00
      2   0.836217D+00  0.114290D+00  0.576693D+00  0.332044D+00  0.462273D+00
      3   0.114290D+00  0.156906D+01  0.707832D+00  0.462273D+00  0.482745D+00
               106           107           108           109           110 
      1   0.399057D+01 -0.221621D+00  0.225521D+01  0.243838D+01 -0.987248D+00
      2  -0.221621D+00  0.800486D+00 -0.212740D+00 -0.987248D+00  0.374632D+00
      3   0.225521D+01 -0.212740D+00  0.115112D+01 -0.166145D+01  0.101739D+01
               111           112           113           114           115 
      1  -0.166145D+01 -0.859395D+00  0.187651D+01  0.111662D+01 -0.381166D+01
      2   0.101739D+01  0.187651D+01 -0.338942D+01 -0.160239D+01  0.319549D+01
      3   0.174239D+01  0.111662D+01 -0.160239D+01 -0.167811D+01  0.381982D+01
               116           117           118           119           120 
      1   0.319549D+01  0.381982D+01 -0.334352D+00 -0.404155D+00  0.508117D+00
      2  -0.339963D+01 -0.389374D+01 -0.404155D+00 -0.212591D+01  0.479322D+00
      3  -0.389374D+01 -0.754680D+01  0.508117D+00  0.479322D+00 -0.988165D-01
               121           122           123           124           125 
      1  -0.201714D+01  0.214038D+01  0.328599D+00  0.962023D+00 -0.180163D+00
      2   0.214038D+01 -0.108728D+02  0.183311D+01 -0.180163D+00  0.332557D+01
      3   0.328599D+00  0.183311D+01 -0.141418D+01  0.799042D+00 -0.241044D+01
               126           127           128           129           130 
      1   0.799042D+00  0.330678D+00 -0.981384D+00 -0.552069D-01 -0.159990D+01
      2  -0.241044D+01 -0.981384D+00 -0.486541D+00  0.725692D-01  0.803101D+00
      3   0.501980D+00 -0.552069D-01  0.725692D-01 -0.236926D+00  0.415112D+00
               131           132           133           134           135 
      1   0.803101D+00  0.415112D+00  0.434404D-01  0.516281D+00  0.101176D+00
      2  -0.792431D+01 -0.346712D+01  0.516281D+00 -0.289869D+01 -0.222884D+01
      3  -0.346712D+01 -0.222259D+01  0.101176D+00 -0.222884D+01 -0.221470D+01
               136           137           138           139           140 
      1  -0.635374D+00 -0.245248D+01 -0.481264D+01 -0.340443D+01  0.102516D+01
      2  -0.245248D+01  0.571344D+00  0.182720D+00  0.102516D+01  0.691093D+01
      3  -0.481264D+01  0.182720D+00  0.139852D+01  0.344805D+00 -0.288045D+01
               141           142           143           144           145 
      1   0.344805D+00 -0.480456D+01  0.168560D+00  0.163060D+01  0.203977D+01
      2  -0.288045D+01  0.168560D+00 -0.147188D+01 -0.201961D+01 -0.307134D+01
      3  -0.204805D+01  0.163060D+01 -0.201961D+01  0.222381D+01 -0.423995D+01
               146           147           148           149           150 
      1  -0.307134D+01 -0.423995D+01 -0.494925D+01  0.184135D+01 -0.384405D+00
      2   0.487130D-01 -0.286451D+00  0.184135D+01  0.787140D+01 -0.101084D+01
      3  -0.286451D+00  0.134034D+01 -0.384405D+00 -0.101084D+01 -0.213014D+01
               151           152           153           154           155 
      1  -0.570396D+01 -0.207351D+00  0.230781D+01 -0.710863D+01  0.468333D+01
      2  -0.207351D+00 -0.148226D+01 -0.160173D+01  0.468333D+01 -0.432918D+01
      3   0.230781D+01 -0.160173D+01  0.471673D+01  0.761597D-01  0.274027D+00
               156           157           158           159           160 
      1   0.761597D-01  0.333494D+01 -0.360687D+01  0.412438D+00  0.323841D+00
      2   0.274027D+00 -0.360687D+01  0.434524D+01  0.686641D-01  0.306204D+00
      3  -0.671594D+00  0.412438D+00  0.686641D-01  0.347822D+00 -0.939179D+00
               161           162           163           164           165 
      1   0.306204D+00 -0.939179D+00 -0.412271D+01 -0.360125D+00 -0.341545D+01
      2   0.264198D+00  0.926062D+00 -0.360125D+00 -0.528660D+00 -0.154309D+00
      3   0.926062D+00 -0.197400D+00 -0.341545D+01 -0.154309D+00 -0.431443D+01
               166           167           168           169           170 
      1  -0.971208D+00 -0.656977D+00 -0.706141D+00 -0.272227D+01 -0.233771D+00
      2  -0.656977D+00 -0.423973D+00 -0.714216D+00 -0.233771D+00 -0.476072D+00
      3  -0.706141D+00 -0.714216D+00 -0.715147D+00 -0.352038D+01 -0.289352D-01
               171           172           173           174           175 
      1  -0.352038D+01  0.316381D+01  0.169945D+01 -0.285652D+01  0.121200D+01
      2  -0.289352D-01  0.169945D+01  0.196168D+01 -0.223452D+01  0.147169D+01
      3  -0.650831D+01 -0.285652D+01 -0.223452D+01  0.357125D+01 -0.170091D+01
               176           177           178           179           180 
      1   0.147169D+01 -0.170091D+01 -0.135276D+01 -0.942577D+00  0.155776D+01
      2   0.243226D+01 -0.206937D+01 -0.942577D+00 -0.110361D+01  0.179884D+01
      3  -0.206937D+01  0.265105D+01  0.155776D+01  0.179884D+01 -0.417573D+01
               181           182           183           184           185 
      1   0.462510D+01  0.105561D+01  0.152842D+01  0.162034D+01  0.588201D+00
      2   0.105561D+01  0.926725D+00 -0.257077D+00  0.588201D+00 -0.180055D+00
      3   0.152842D+01 -0.257077D+00  0.309207D+01 -0.200811D-01  0.593714D+00
               186           187           188           189           190 
      1  -0.200811D-01  0.182353D+01  0.880861D-01  0.159688D+01 -0.403715D+00
      2   0.593714D+00  0.880861D-01  0.615407D+00  0.556153D+00 -0.842432D+00
      3   0.133570D+01  0.159688D+01  0.556153D+00  0.221948D+01  0.953167D+00
               191           192           193           194           195 
      1  -0.842432D+00  0.953167D+00 -0.103421D+01 -0.113986D+01  0.440271D+00
      2  -0.427681D+00  0.157422D+00 -0.113986D+01 -0.854397D+01  0.349163D+01
      3   0.157422D+00 -0.494559D+00  0.440271D+00  0.349163D+01 -0.275319D+01
               196           197           198           199           200 
      1   0.375429D+00  0.618599D-01 -0.333122D+00 -0.479511D+01  0.838191D+00
      2   0.618599D-01  0.100384D+01 -0.118863D+01  0.838191D+00 -0.105551D+01
      3  -0.333122D+00 -0.118863D+01  0.103300D+01  0.384127D+01 -0.358948D+00
               201           202           203           204           205 
      1   0.384127D+01  0.200209D+01 -0.106133D+01 -0.133860D+01  0.245004D+01
      2  -0.358948D+00 -0.106133D+01  0.207668D+00  0.121558D+01 -0.446104D+00
      3  -0.419025D+01 -0.133860D+01  0.121558D+01  0.211742D+01 -0.273849D+01
               206           207           208           209           210 
      1  -0.446104D+00 -0.273849D+01 -0.118219D+01  0.481485D+00 -0.111273D+01
      2   0.720789D+00  0.676769D+00  0.481485D+00 -0.521551D-01 -0.121907D-01
      3   0.676769D+00  0.400251D+01 -0.111273D+01 -0.121907D-01 -0.150199D+01
               211           212           213           214           215 
      1   0.118296D+01 -0.337150D+00  0.158001D+00 -0.235070D+01 -0.506518D+00
      2  -0.337150D+00 -0.363810D+00 -0.745923D+00 -0.506518D+00 -0.108002D+01
      3   0.158001D+00 -0.745923D+00  0.829291D+00 -0.252288D+01  0.282686D+00
               216           217           218           219           220 
      1  -0.252288D+01 -0.886156D+01  0.635563D+00  0.225677D+01  0.381094D+01
      2   0.282686D+00  0.635563D+00 -0.945774D+00 -0.294649D+00 -0.139681D+01
      3  -0.680469D+01  0.225677D+01 -0.294649D+00 -0.147111D+01 -0.638634D+00
               221           222           223           224           225 
      1  -0.139681D+01 -0.638634D+00  0.490837D+01 -0.607209D-01 -0.216208D+01
      2   0.507947D-01  0.556146D+00 -0.607209D-01  0.905384D+00  0.403551D+00
      3   0.556146D+00  0.902739D+00 -0.216208D+01  0.403551D+00  0.134707D+01
               226           227           228           229           230 
      1  -0.963426D+00 -0.782434D+00  0.363452D+00 -0.236489D+01 -0.324129D+01
      2  -0.782434D+00 -0.188742D+00  0.642086D-01 -0.324129D+01 -0.966226D+01
      3   0.363452D+00  0.642086D-01 -0.418858D-01 -0.127851D+00  0.247232D+00
               231           232           233           234 
      1  -0.127851D+00  0.936296D+00  0.348634D+00 -0.675694D+00
      2   0.247232D+00  0.348634D+00  0.875542D+00 -0.913863D+00
      3  -0.950532D+00 -0.675694D+00 -0.913863D+00 -0.138498D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.146541D+01  0.123086D+01  0.131798D+00  0.281323D+01  0.102033D+02
      2   0.195146D+01 -0.200940D+01 -0.214612D+01  0.603032D+00  0.957431D+01
      3  -0.279674D+01 -0.507223D+01  0.180529D+01  0.162742D+01 -0.460955D+02
                 6             7             8             9            10 
      1  -0.136317D+01  0.134351D+01  0.502341D+01  0.225476D+00 -0.664287D+00
      2   0.121271D+02 -0.947187D+01  0.144478D+02  0.166474D+02 -0.822055D+00
      3  -0.133696D+02  0.144470D+01 -0.110324D+02 -0.144912D+02  0.406151D+01
                11            12            13            14            15 
      1  -0.765542D+01 -0.420404D+01 -0.365588D+01 -0.182717D+02  0.230325D+00
      2   0.275521D+01  0.228552D+01  0.160232D+00 -0.520005D+01 -0.176516D+01
      3  -0.534566D+01 -0.352701D+01  0.420045D+01  0.961101D+01  0.663506D+01
                16            17            18            19            20 
      1  -0.643430D+01  0.187532D+02  0.146552D+02 -0.154217D+01 -0.211533D+01
      2  -0.565197D+00 -0.247316D+01 -0.539307D+01 -0.158179D+01  0.616761D+01
      3  -0.142250D+01  0.110277D+02  0.116130D+02  0.105463D+02 -0.712617D+01
                21            22            23            24            25 
      1  -0.205533D+00 -0.216373D+01 -0.126900D+02 -0.292227D+01 -0.272335D+01
      2   0.153143D+01  0.445780D+01 -0.110901D+02 -0.135419D+02 -0.573826D+01
      3  -0.453151D+01  0.286310D+01  0.454019D+02  0.146320D+02 -0.309381D+01
                26            27            28            29            30 
      1   0.479550D+01  0.262685D+01 -0.117705D+01 -0.636788D+01 -0.527008D+01
      2  -0.110844D+02 -0.176345D+02 -0.549075D+01 -0.964632D+01 -0.634021D+01
      3   0.150812D+02  0.115900D+02  0.115800D+02 -0.177429D+01  0.108413D+02
                31            32            33            34            35 
      1  -0.313381D+01 -0.728374D+01  0.273560D+01 -0.118607D+02  0.154705D+02
      2  -0.909485D+01 -0.274868D+01  0.435598D+01 -0.175608D+02  0.148431D+02
      3   0.152246D+02 -0.324500D+02  0.580243D+01  0.110282D+02  0.108935D+02
                36            37            38            39            40 
      1   0.104810D+02 -0.122075D+01  0.560367D+00  0.577725D+01 -0.487318D+01
      2   0.155348D+02  0.990357D+01  0.296862D+01  0.317525D+01 -0.354744D+01
      3  -0.443832D+01 -0.153121D+02 -0.797437D+01 -0.106730D+01  0.815740D+01
                41            42            43            44            45 
      1   0.129807D+01 -0.120189D+02  0.874073D+01 -0.238100D+00  0.546294D+01
      2   0.244886D+01 -0.563973D+01 -0.105510D+02 -0.451690D+01  0.486276D+01
      3   0.312961D+01  0.339771D+01  0.583939D+01 -0.397462D+00 -0.677736D+01
                46            47            48            49            50 
      1   0.497667D+01 -0.664048D+00 -0.249299D+01 -0.978092D+00 -0.173537D+01
      2  -0.150030D+02 -0.297271D+01  0.685170D+01  0.120705D+01 -0.184133D+01
      3   0.138968D+02 -0.592808D+01 -0.202603D+01 -0.347274D+01 -0.179762D+02
                51            52            53            54            55 
      1  -0.153452D+01 -0.305257D+01  0.759059D+01 -0.317599D+01  0.317464D+01
      2  -0.715027D+00  0.641669D+00 -0.396940D+01  0.760461D+01  0.293832D+01
      3   0.241124D+01 -0.866130D+01  0.317898D+01  0.563933D+01 -0.472545D+01
                56            57            58            59            60 
      1   0.264228D+01  0.681766D+01  0.317889D+01  0.442649D+01 -0.697417D+01
      2   0.171321D+01  0.425099D+01  0.172181D+01  0.308655D+01 -0.426724D+01
      3  -0.548122D+01 -0.380904D+01  0.395012D+01  0.133648D+02 -0.600113D+01
                61            62            63            64            65 
      1   0.478815D+01  0.178322D+00 -0.985223D+01 -0.295376D+01  0.306474D+01
      2  -0.205379D+01 -0.246076D+01 -0.526501D+01 -0.548255D+00 -0.439159D+01
      3  -0.556095D+01 -0.754039D+01 -0.145284D+01  0.266652D+01 -0.422261D+01
                66            67            68            69            70 
      1  -0.135693D+02  0.650179D+01 -0.213440D+01  0.839947D+01 -0.112436D+02
      2   0.108694D+02 -0.557692D+00 -0.474069D+01  0.155660D+02  0.330175D+01
      3   0.718068D+01 -0.235473D+01 -0.222257D+01 -0.151497D+01  0.524743D+01
                71            72            73            74            75 
      1   0.852713D+01  0.237725D+01 -0.227599D+01  0.274442D+00 -0.294392D+01
      2   0.965136D+01  0.494952D+01 -0.425633D+00  0.128339D+01  0.580778D+01
      3   0.265179D+00  0.105329D+01  0.554314D+01 -0.199731D+01  0.149882D+01
                76            77            78            79            80 
      1  -0.487658D+00 -0.668923D+00 -0.123289D+01 -0.167052D+01  0.276448D+01
      2  -0.870119D-01  0.305546D+01  0.289198D+01  0.370987D+00 -0.159012D+01
      3   0.139035D+01 -0.234104D+01 -0.159699D+01  0.155829D+01 -0.426310D+01
                81            82            83            84            85 
      1  -0.114909D+01  0.166763D+01  0.278646D+01 -0.184793D-01  0.358274D+00
      2   0.106656D+01 -0.781143D+00 -0.268254D+00  0.156928D+01 -0.125639D+01
      3   0.151670D+01  0.213995D+01  0.125761D+01 -0.693002D+00  0.738353D+01
                86            87            88            89            90 
      1   0.138382D+02 -0.624345D+01  0.711870D+00 -0.809562D+01  0.243549D+01
      2   0.180958D+01  0.629430D+00 -0.569999D+00  0.715411D+00  0.374273D+00
      3  -0.577412D+01 -0.441527D+00 -0.280517D+01 -0.372675D+00 -0.197472D+01
                91            92            93            94            95 
      1  -0.316573D+01  0.202212D+01  0.440413D+01  0.347323D+00 -0.383261D+00
      2   0.231860D+01 -0.128528D+01 -0.943961D+00 -0.880371D+00  0.249021D+01
      3  -0.471003D+01  0.599966D+00  0.431838D+01  0.241358D+01 -0.440508D+01
                96            97            98            99           100 
      1  -0.293894D+01  0.357506D+01 -0.492436D+01 -0.180006D+02  0.400378D+01
      2   0.735462D+00 -0.568226D+01  0.284553D+01  0.429561D+01  0.795131D+01
      3  -0.292780D+01  0.825687D+01 -0.696428D+01 -0.781658D+01 -0.131613D+02
               101           102           103           104           105 
      1   0.944901D+00  0.266346D+01  0.889083D+00  0.123427D+01 -0.128036D+00
      2   0.317230D+00  0.801064D+01  0.208222D+01  0.143082D+01  0.217872D+01
      3  -0.548654D+01 -0.409493D+01 -0.363843D+01 -0.274191D+01 -0.236965D+01
               106           107           108           109           110 
      1   0.288718D+01  0.648744D+00  0.132887D+01 -0.260739D+01  0.183784D+01
      2   0.528197D+01  0.328785D-02  0.468050D+01 -0.331959D+01  0.267740D+01
      3  -0.543234D+01 -0.362435D+01 -0.226589D+01 -0.717134D+00 -0.195979D+01
               111           112           113           114           115 
      1   0.355326D+01  0.195942D+01 -0.908817D+00 -0.375082D+01  0.686772D+01
      2   0.551946D+01  0.287022D+01 -0.413226D+01 -0.500339D+01  0.723081D+01
      3  -0.140596D+01 -0.271494D+01  0.791891D+01  0.296155D+01 -0.229983D+01
               116           117           118           119           120 
      1  -0.498447D+01 -0.133112D+02  0.424515D+00  0.234097D+01 -0.432354D+00
      2  -0.985615D+01 -0.216784D+02  0.145456D+01  0.237576D+01  0.455973D+00
      3   0.567774D+01  0.561321D+01  0.216100D+01  0.618876D+01 -0.264241D+01
               121           122           123           124           125 
      1  -0.913355D+00  0.686568D+01 -0.566993D+01  0.167169D+01 -0.496091D+01
      2   0.127970D+01  0.517178D+01 -0.432060D+01  0.757118D+00 -0.596566D+01
      3  -0.575704D+00  0.308387D+02 -0.639494D+01 -0.206078D+01 -0.108022D+02
               126           127           128           129           130 
      1   0.185814D+01  0.125895D+01 -0.297655D+00 -0.194277D+00 -0.557834D+00
      2   0.190998D+01  0.943913D+00 -0.851743D+00  0.120690D+01 -0.297848D+01
      3   0.580699D+01 -0.593196D+00 -0.576559D+00 -0.328850D+00  0.601206D+01
               131           132           133           134           135 
      1   0.584845D+01 -0.257771D+01 -0.224320D+00  0.341968D+01 -0.864241D+00
      2   0.898384D+00  0.218653D+00 -0.240683D+01  0.487078D-01 -0.594331D+00
      3   0.251247D+00 -0.114768D+00  0.933384D+00  0.505959D+00  0.129472D+00
               136           137           138           139           140 
      1  -0.123430D+02  0.547186D+00  0.243238D+01  0.326307D+01  0.140590D+02
      2   0.122983D+02  0.534656D+01  0.117773D+02  0.678141D+01  0.173288D+01
      3  -0.364184D+01  0.544274D+00  0.529745D+01  0.679941D+01  0.971912D+01
               141           142           143           144           145 
      1  -0.131909D+02  0.108817D+01 -0.427622D+01 -0.309830D+01 -0.337428D+01
      2   0.154836D+01  0.706937D+01  0.358175D+01 -0.497018D+01  0.137701D+02
      3  -0.466154D+01  0.437175D+01 -0.265101D+01 -0.407333D+01 -0.150682D+02
               146           147           148           149           150 
      1   0.128206D+00  0.273222D+01 -0.743988D+00 -0.384504D+01 -0.393866D+01
      2  -0.103881D+01 -0.578319D+01 -0.315779D+01  0.279773D+01  0.583666D+01
      3   0.340261D+01  0.428194D+01  0.142198D+02  0.240977D+02 -0.242481D+01
               151           152           153           154           155 
      1   0.487479D+01  0.730677D+00  0.855408D+01 -0.133566D+01  0.718191D+00
      2  -0.160818D+02  0.401328D+01 -0.176773D+02 -0.127827D+01  0.904623D+00
      3   0.573957D+01 -0.325945D+01 -0.816289D+01 -0.739630D+01 -0.185654D+01
               156           157           158           159           160 
      1   0.292535D+01  0.437091D+00 -0.161399D+01 -0.332892D+01  0.134563D+01
      2   0.381173D+01  0.248744D+00 -0.108965D+01 -0.218613D+01 -0.786741D-01
      3   0.194409D+00  0.452168D+01  0.758131D+00  0.680606D+00  0.545987D+00
               161           162           163           164           165 
      1  -0.322637D+00  0.402286D+00  0.395531D+01  0.422848D+01  0.439411D+01
      2  -0.789503D+00  0.147765D+00 -0.111205D+02 -0.174388D+01 -0.393508D+01
      3   0.125971D+01 -0.291517D+00 -0.337874D+01 -0.307237D+01 -0.246444D+01
               166           167           168           169           170 
      1   0.197795D+01  0.190454D+01  0.303473D+00  0.369248D+01  0.342718D+01
      2  -0.280045D+01 -0.103229D+01 -0.183445D+01 -0.779405D+01 -0.137878D+01
      3   0.550232D+00 -0.664504D-01 -0.437172D+00 -0.146085D+01 -0.190664D+01
               171           172           173           174           175 
      1   0.385377D+01 -0.171770D+01 -0.467297D+01  0.557856D+00 -0.248233D+01
      2  -0.338824D+01  0.962951D+01  0.382262D+01 -0.437227D+01  0.442120D+01
      3  -0.161336D+01  0.462440D+01  0.514696D+00 -0.255899D+01  0.423440D+01
               176           177           178           179           180 
      1  -0.361096D+01 -0.205951D+00  0.109068D+01  0.287171D+01 -0.535914D+00
      2   0.373967D+01 -0.419332D+01 -0.540163D+01 -0.329318D+01  0.386051D+01
      3   0.875265D+00 -0.218647D+01 -0.264175D+01 -0.142629D+00  0.227298D+01
               181           182           183           184           185 
      1   0.653215D+01  0.410332D+01  0.113161D+01  0.329148D+01  0.139380D+01
      2  -0.191373D+02 -0.466456D+01 -0.336690D+01 -0.610325D+01 -0.239418D+01
      3  -0.268827D+01 -0.165887D+01 -0.112709D+01  0.937480D+00 -0.359832D+00
               186           187           188           189           190 
      1   0.102365D+01  0.229363D+01  0.281503D+01  0.242136D+01 -0.350413D+00
      2  -0.453005D+00 -0.734905D+01 -0.106224D+01 -0.472038D+01 -0.808296D+00
      3   0.128152D+00 -0.708010D+00 -0.836437D+00 -0.672229D+00 -0.752705D+00
               191           192           193           194           195 
      1  -0.799460D+00 -0.619547D+00 -0.187464D+01 -0.164769D+02  0.998362D+00
      2   0.105085D+01 -0.369306D+00  0.288087D+01 -0.239633D+01  0.299034D+01
      3  -0.662679D+00 -0.571003D+00  0.302047D+01 -0.103582D+02  0.421369D+01
               196           197           198           199           200 
      1  -0.195056D-01  0.318225D+01 -0.150870D+01  0.587454D+01 -0.472345D+01
      2  -0.160042D+01  0.670178D+00 -0.589422D+00  0.602892D+01 -0.187651D+01
      3  -0.555534D+00  0.117983D+01 -0.107459D+01  0.467061D+01 -0.443036D+01
               201           202           203           204           205 
      1  -0.451734D+01 -0.310186D+01  0.239876D+01  0.326616D+01 -0.365372D+01
      2   0.317126D+00 -0.305063D+01 -0.454203D-01 -0.128399D+01 -0.504892D+01
      3  -0.388527D+01 -0.168242D+01  0.186396D+01  0.262776D+01 -0.259823D+01
               206           207           208           209           210 
      1   0.384259D+01  0.508992D+01 -0.186915D+01  0.180054D+00 -0.133203D+01
      2   0.201608D+00 -0.152487D+00  0.252899D+01  0.848662D+00  0.428647D+01
      3   0.231473D+01  0.343710D+01  0.233495D+01 -0.115251D+01  0.101311D+01
               211           212           213           214           215 
      1  -0.924219D-01 -0.873200D+00  0.115249D+01 -0.159452D+01  0.424547D+01
      2   0.153279D+01  0.229994D+01 -0.356215D+01  0.195816D+01 -0.271376D+01
      3  -0.740956D+00 -0.180391D+00 -0.218210D+01  0.730789D+00 -0.392710D+01
               216           217           218           219           220 
      1  -0.886513D+01  0.252474D+01 -0.690243D+00 -0.154516D+01 -0.613196D+00
      2   0.211899D+02 -0.993541D+01  0.135138D+01  0.912224D+01  0.330123D+01
      3   0.422145D+01  0.126486D+02 -0.662605D+01 -0.368466D+01 -0.624562D+01
               221           222           223           224           225 
      1   0.869742D+00 -0.266544D+00 -0.229916D+01  0.113774D+01  0.709906D+00
      2  -0.217421D+01 -0.396813D+01  0.688482D+01 -0.125275D+01 -0.557849D+01
      3   0.249267D+01  0.234193D+01 -0.550687D+01  0.435473D+01  0.386563D+01
               226           227           228           229           230 
      1   0.738981D+00  0.376046D+00 -0.176085D+00  0.440855D+00  0.374462D+01
      2  -0.125207D+01 -0.422608D+00  0.139865D+01 -0.339322D-01 -0.165095D+01
      3  -0.160499D+01 -0.154878D+01 -0.428385D+00 -0.280015D+01 -0.256800D+02
               231           232           233           234 
      1  -0.481455D+01 -0.521641D+00 -0.176877D+00  0.293371D+00
      2   0.365553D+01  0.117752D+01  0.171295D+01  0.302201D+00
      3   0.100680D+01 -0.888482D+00  0.198079D+01 -0.165427D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.165508D+02  0.412688D+01 -0.312190D+01  0.734668D+01 -0.291754D+02
      2   0.116877D+02 -0.146156D+01  0.307492D+01  0.111101D+01  0.347714D+02
      3   0.486307D+01 -0.266532D+01  0.469842D-01 -0.845769D+01 -0.559604D+01
      4  -0.789800D+01  0.236391D+01 -0.123027D+02 -0.380160D+01  0.540050D+02
      5  -0.190251D+02 -0.798841D+01 -0.499238D+01 -0.138991D+02  0.430997D+01
      6  -0.559620D+01 -0.886352D+01 -0.636500D+01 -0.577722D+01  0.637215D+01
                 6             7             8             9            10 
      1  -0.145845D+02 -0.477401D+01 -0.151692D+02 -0.196730D+02  0.290302D+01
      2   0.105207D+02  0.297834D+01  0.184769D+01  0.302375D+01  0.144897D+01
      3   0.406382D+01  0.179567D+01  0.133215D+02  0.166492D+02 -0.435200D+01
      4   0.410270D+01 -0.212074D+02  0.340848D+01  0.110643D+02 -0.226280D+01
      5   0.593293D+01 -0.557797D+01  0.668284D+01  0.999311D+01  0.287091D+01
      6   0.786402D+01 -0.412223D+01  0.122564D+02  0.623602D+01  0.823937D+00
                11            12            13            14            15 
      1  -0.543637D+01 -0.109695D+02  0.227083D+01  0.455629D+02  0.356159D+01
      2  -0.424738D+01  0.109271D+02 -0.684999D+01 -0.669788D+02  0.688507D+01
      3   0.968375D+01  0.424380D-01  0.457917D+01  0.214159D+02 -0.104467D+02
      4   0.168133D+01  0.362732D+01  0.102158D+02 -0.197563D+02  0.448237D+01
      5   0.686649D+00 -0.313400D+01  0.376753D+01 -0.190863D+00  0.299733D+01
      6   0.173583D+02  0.142899D+02  0.707297D+01  0.575780D+01 -0.639056D+01
                16            17            18            19            20 
      1  -0.115470D+02 -0.139963D+01  0.227907D+02  0.185757D+02 -0.167753D+00
      2   0.582685D+01  0.258375D+02 -0.853645D+01 -0.152383D+02 -0.250029D+01
      3   0.572020D+01 -0.244379D+02 -0.142542D+02 -0.333738D+01  0.266805D+01
      4   0.419298D+01  0.778996D+01  0.501169D+01 -0.416072D+01  0.598956D+01
      5   0.819124D-01  0.680888D+01  0.765213D+01  0.309811D+01  0.883506D+01
      6   0.141030D+02 -0.233226D+02 -0.293030D+02 -0.244742D+01 -0.633877D+01
                21            22            23            24            25 
      1   0.563218D+01  0.275211D+01  0.111712D+02  0.132254D+02 -0.231633D+01
      2  -0.437881D+01 -0.305569D+01 -0.680799D+01 -0.318599D+01 -0.179711D+01
      3  -0.125337D+01  0.303578D+00 -0.436324D+01 -0.100394D+02  0.411344D+01
      4   0.620670D+01  0.581153D+00 -0.564335D+02 -0.158124D+02 -0.160645D+01
      5   0.606558D+01  0.715528D+01 -0.104843D+02 -0.123193D+02  0.162088D+02
      6  -0.101037D+01 -0.110587D+01 -0.749935D+01 -0.121907D+01 -0.125895D+01
                26            27            28            29            30 
      1   0.104574D+02  0.125489D+02 -0.362740D+02 -0.126892D+01 -0.165233D+02
      2  -0.104665D+02 -0.136521D+02  0.281241D+02 -0.748497D+01  0.103867D+02
      3   0.912205D-02  0.110319D+01  0.814992D+01  0.875389D+01  0.613659D+01
      4  -0.185746D+02 -0.134356D+02 -0.205528D+01  0.204229D+01 -0.116294D+02
      5  -0.105330D+02 -0.138175D+02 -0.117204D+02 -0.158668D+02 -0.176641D+02
      6   0.502598D+01 -0.531198D+01  0.131644D+01  0.947535D+01  0.802115D+01
                31            32            33            34            35 
      1  -0.171639D+02  0.131881D+02 -0.183333D+02 -0.196875D+02 -0.226999D+02
      2   0.791630D+01 -0.278392D+02  0.182398D+02  0.649569D+01  0.286900D+02
      3   0.924755D+01  0.146511D+02  0.935728D-01  0.131918D+02 -0.599006D+01
      4  -0.463579D+01  0.415965D+02  0.194002D+01 -0.141568D+02  0.115157D+01
      5  -0.153090D+02 -0.487331D+01  0.110913D+02 -0.302204D+02  0.277228D+02
      6   0.215087D+01  0.138873D+02 -0.900445D+01  0.150985D+02 -0.201164D+02
                36            37            38            39            40 
      1  -0.150194D+02 -0.158581D+02 -0.406287D+01  0.151126D+01 -0.151805D+02
      2   0.113315D+02  0.115457D+02  0.328149D+01 -0.302120D+01  0.106597D+01
      3   0.368788D+01  0.431243D+01  0.781378D+00  0.150995D+01  0.141145D+02
      4   0.242787D+02  0.614831D+01  0.121304D+01  0.445326D+01  0.217232D+01
      5   0.334154D+02  0.449271D+01 -0.707268D+00 -0.166285D+01 -0.985515D+00
      6  -0.192777D+02  0.699810D+01 -0.661783D+00  0.446388D+01  0.570639D-01
                41            42            43            44            45 
      1   0.224864D+02  0.341027D+01  0.121577D+02  0.127026D+02  0.428890D+00
      2  -0.129622D+02 -0.107360D+02 -0.360466D+01 -0.152288D+02  0.520774D+01
      3  -0.952416D+01  0.732570D+01 -0.855306D+01  0.252619D+01 -0.563663D+01
      4  -0.948390D+01 -0.148204D+01  0.969606D+01  0.114091D+00  0.110250D+01
      5   0.127417D+01  0.569440D+01 -0.729269D+01  0.728649D+00 -0.135029D+01
      6  -0.139591D+02 -0.197810D+02 -0.727270D+00 -0.109757D+02  0.370530D+01
                46            47            48            49            50 
      1   0.150075D+01 -0.989514D+01 -0.158933D+02 -0.116405D+02 -0.602368D+01
      2  -0.886629D+01  0.271139D+01  0.123388D+02  0.970484D+01  0.551078D+01
      3   0.736554D+01  0.718375D+01  0.355447D+01  0.193562D+01  0.512895D+00
      4  -0.171726D+02  0.369577D+01 -0.995401D+01  0.594731D+01  0.207101D+02
      5  -0.198728D+02 -0.512766D+01  0.923647D+01  0.153035D+01 -0.672824D+01
      6  -0.108028D+02  0.903646D-01  0.107497D+01 -0.144219D+01 -0.480157D+01
                51            52            53            54            55 
      1  -0.605451D+01 -0.229906D+02 -0.862521D+01  0.115642D+02 -0.105331D+02
      2  -0.341062D+01  0.123792D+02  0.368617D+01 -0.579535D+01 -0.517561D+01
      3   0.946513D+01  0.106114D+02  0.493903D+01 -0.576888D+01  0.157088D+02
      4  -0.880776D+01 -0.845814D+01 -0.103545D+02  0.219996D+01  0.242586D+02
      5  -0.532385D+01  0.125192D+02 -0.103927D+01  0.458599D+01  0.468317D+00
      6   0.964081D+01  0.587077D+01 -0.846031D+00  0.356276D+01  0.210873D+01
                56            57            58            59            60 
      1   0.982479D+01  0.365182D+01  0.294653D+01 -0.135739D+02  0.289088D+01
      2   0.477704D+01 -0.113811D+02  0.482430D+01  0.927640D+01  0.458029D+00
      3  -0.146018D+02  0.772932D+01 -0.777083D+01  0.429754D+01 -0.334891D+01
      4  -0.255820D+02  0.203046D+01 -0.240518D+02  0.672943D+01  0.356693D+01
      5   0.238308D+01  0.101906D+01 -0.258140D+01  0.275824D+01  0.404460D+00
      6  -0.106519D+02 -0.727465D+01 -0.623643D+01  0.391896D+01 -0.824506D+00
                61            62            63            64            65 
      1   0.737687D+00  0.620239D+01  0.163853D+01  0.847194D+01  0.838672D+01
      2  -0.531882D+01 -0.780443D+01  0.898433D+01  0.744800D+01  0.183151D+01
      3   0.458113D+01  0.160203D+01 -0.106229D+02 -0.159199D+02 -0.102182D+02
      4   0.539553D+01  0.600640D+01 -0.782892D+01 -0.465716D+01 -0.384057D+00
      5   0.335437D+01 -0.195902D+01 -0.136845D+01 -0.396737D+01  0.404204D+01
      6  -0.534621D+01  0.650098D+01  0.813871D+01  0.772046D+01  0.157698D+02
                66            67            68            69            70 
      1  -0.336483D+01  0.147172D+02 -0.247915D+01 -0.157751D+01  0.195792D+01
      2   0.161169D+02  0.397471D+01 -0.318596D+01 -0.226000D+01  0.114789D+02
      3  -0.127521D+02 -0.186919D+02  0.566511D+01  0.383751D+01 -0.134368D+02
      4   0.338604D+01  0.259808D+01 -0.256853D+01  0.922112D+01 -0.293831D+01
      5  -0.198200D+02  0.124208D+01  0.597610D+01 -0.148276D+02 -0.145051D+02
      6  -0.111788D+02  0.139212D+02 -0.561526D+01  0.569839D+01 -0.514523D+01
                71            72            73            74            75 
      1  -0.738444D+01 -0.448103D+01  0.359388D+02  0.101572D+02  0.112369D+02
      2   0.529563D+01 -0.110146D+01 -0.202360D+02 -0.484962D+01 -0.961610D+01
      3   0.208881D+01  0.558250D+01 -0.157028D+02 -0.530761D+01 -0.162078D+01
      4   0.599091D+01 -0.246746D+00  0.283168D+02  0.151248D+02  0.126564D+02
      5  -0.635144D+01 -0.561238D+01  0.249155D+02  0.986300D+01  0.174448D+02
      6  -0.205162D+00  0.146002D+01  0.855672D+01  0.536440D+01  0.594199D+01
                76            77            78            79            80 
      1   0.445875D+01  0.496787D+00 -0.451849D+00  0.126614D+02  0.377660D+01
      2  -0.747973D+00  0.257392D+01  0.301627D+00 -0.861723D+01  0.369049D+00
      3  -0.371077D+01 -0.307071D+01  0.150222D+00 -0.404417D+01 -0.414564D+01
      4   0.139203D+02  0.125281D+02  0.936561D+01  0.146801D+02  0.134774D+02
      5   0.678248D+01  0.835766D+01  0.701793D+01  0.158419D+02  0.549919D+01
      6   0.543058D+01  0.686251D+01  0.587411D+01  0.624925D+01  0.526108D+01
                81            82            83            84            85 
      1   0.586410D+01 -0.150858D+01 -0.533754D+01  0.333721D+00 -0.247039D+01
      2  -0.554808D+01  0.725748D+01  0.132987D+02 -0.637476D+00  0.778574D+01
      3  -0.316024D+00 -0.574890D+01 -0.796112D+01  0.303755D+00 -0.531535D+01
      4   0.828541D+01  0.593425D+01  0.150586D+02 -0.125773D+01  0.754868D+01
      5   0.107645D+02 -0.382090D+00  0.741832D+00  0.251365D+01  0.378927D-03
      6   0.528379D+01 -0.134964D+01 -0.133342D+01 -0.307148D+00 -0.350603D+00
                86            87            88            89            90 
      1  -0.493778D+02  0.245149D+01  0.165422D+01  0.131518D+02 -0.810072D+01
      2   0.883212D+02 -0.648279D+01 -0.220555D+01 -0.260763D+02  0.874911D+01
      3  -0.389435D+02  0.403130D+01  0.551327D+00  0.129245D+02 -0.648389D+00
      4   0.214500D+02 -0.209727D+01 -0.279784D+01 -0.630075D+01  0.210805D+01
      5   0.358482D+00  0.507659D+00  0.169611D+01  0.757454D+00 -0.168180D+01
      6  -0.581797D+01  0.804390D+01 -0.726620D+00  0.153902D+02 -0.174805D+01
                91            92            93            94            95 
      1  -0.238023D+01  0.374163D+01  0.571239D+01  0.182110D+01 -0.155569D+02
      2  -0.141478D+01 -0.171173D+01 -0.251893D+01 -0.169558D+01  0.167121D+02
      3   0.379501D+01 -0.202990D+01 -0.319347D+01 -0.125519D+00 -0.115520D+01
      4  -0.342644D+01  0.569915D+01  0.512665D+01  0.116435D+01  0.824061D+00
      5  -0.329309D+01  0.368774D+01  0.723994D+01  0.772620D+00 -0.940437D+00
      6   0.639682D+01 -0.738326D+01 -0.898385D+01 -0.365102D+01  0.117827D+02
                96            97            98            99           100 
      1  -0.888826D+01  0.795025D+01 -0.188075D+02 -0.290397D+02  0.708477D+02
      2   0.636938D+01 -0.145238D+01  0.694458D+01  0.244796D+01 -0.391141D+02
      3   0.251888D+01 -0.649787D+01  0.118629D+02  0.265918D+02 -0.317336D+02
      4  -0.132149D+01  0.347898D+01 -0.193757D+01 -0.234643D+01 -0.110561D+02
      5  -0.137377D+01  0.556471D+01 -0.344952D+01 -0.491326D+01  0.172229D+02
      6   0.138318D+02 -0.872594D+01  0.286322D+02  0.409680D+02 -0.549737D+01
               101           102           103           104           105 
      1   0.183329D+01  0.161909D+02  0.217285D+02  0.407954D+01  0.511365D+01
      2  -0.292689D+01 -0.983051D+01 -0.128039D+02 -0.122515D+01 -0.440267D+01
      3   0.109360D+01 -0.636037D+01 -0.892461D+01 -0.285439D+01 -0.710981D+00
      4   0.848684D+01 -0.216197D+01  0.507616D+01  0.320505D+01  0.267378D+01
      5   0.266064D+00  0.143486D+02  0.523554D+01  0.322188D+01  0.391552D+01
      6  -0.274980D+00 -0.490342D+01 -0.514293D+00 -0.100882D+01  0.766619D+00
               106           107           108           109           110 
      1   0.267285D+02  0.616695D+00  0.121772D+02  0.156188D+02 -0.580854D+01
      2  -0.166244D+02 -0.305254D+01 -0.101173D+02 -0.108209D+02  0.386296D+01
      3  -0.101041D+02  0.243585D+01 -0.205986D+01 -0.479793D+01  0.194558D+01
      4  -0.551802D+01  0.515917D+01 -0.299840D+01 -0.988507D+01  0.646536D+01
      5   0.185586D+02 -0.111933D+01  0.101203D+02 -0.128021D+02  0.821271D+01
      6  -0.448474D+01  0.250942D+01 -0.187475D+01  0.539956D+01 -0.388284D+01
               111           112           113           114           115 
      1  -0.808362D+01 -0.209334D+01 -0.418612D+00  0.188566D+01 -0.161169D+02
      2   0.567083D+01 -0.429092D+00  0.517761D+01 -0.231164D+00  0.131230D+02
      3   0.241279D+01  0.252243D+01 -0.475900D+01 -0.165450D+01  0.299389D+01
      4   0.885337D+01  0.118419D+02 -0.180697D+02 -0.101013D+02  0.216071D+02
      5   0.156559D+02  0.701944D+01 -0.908422D+01 -0.104202D+02  0.287318D+02
      6  -0.582431D+01 -0.456886D+01  0.547488D+01  0.105672D+02 -0.132884D+02
               116           117           118           119           120 
      1   0.762090D+01  0.508669D+01 -0.473638D+00 -0.958972D+01  0.418644D+01
      2  -0.673870D+01 -0.145651D+02  0.108404D+01  0.118461D+02 -0.270663D+01
      3  -0.882197D+00  0.947846D+01 -0.610406D+00 -0.225634D+01 -0.147981D+01
      4  -0.208169D+02 -0.224606D+02 -0.463007D+00 -0.255566D+01  0.355390D+00
      5  -0.246111D+02 -0.472519D+02  0.193456D+01  0.207235D+01  0.164584D+01
      6   0.180071D+02  0.260392D+02 -0.148391D+01 -0.358368D+01  0.101501D+01
               121           122           123           124           125 
      1  -0.757791D+01 -0.214229D+02  0.772797D+01  0.516332D+01  0.104072D+02
      2  -0.259740D+00  0.460393D+02 -0.102668D+02 -0.550075D+00 -0.165897D+02
      3   0.783765D+01 -0.246164D+02  0.253880D+01 -0.461325D+01  0.618248D+01
      4   0.155249D+02 -0.468047D+02  0.767092D+01 -0.356919D+01  0.142657D+02
      5   0.146861D+00  0.111411D+02 -0.862831D+01  0.710598D+01 -0.134242D+02
      6   0.279972D+01 -0.171516D+02  0.991183D+01 -0.405610D+01  0.157381D+02
               126           127           128           129           130 
      1  -0.341921D+01  0.500569D+00 -0.126174D+01 -0.455741D+00  0.590057D+00
      2   0.409363D+01  0.202599D+01  0.824456D+00  0.602965D+00 -0.153256D+01
      3  -0.674418D+00 -0.252656D+01  0.437285D+00 -0.147224D+00  0.942500D+00
      4  -0.105311D+02 -0.678677D+00  0.850589D+01  0.223909D+01  0.685292D+01
      5   0.146321D+01 -0.109641D+01  0.353137D+01  0.404014D+01  0.334098D+01
      6  -0.506818D+01  0.375131D+01  0.824492D-01  0.118901D+01 -0.330440D+01
               131           132           133           134           135 
      1  -0.229976D+02 -0.108936D+02  0.344063D+00 -0.927226D+01 -0.104508D+02
      2   0.273307D+02  0.865877D+01  0.649005D+00  0.668149D+01  0.197025D+01
      3  -0.433306D+01  0.223480D+01 -0.993068D+00  0.259077D+01  0.848055D+01
      4  -0.119998D+01 -0.134233D+01  0.184030D+01 -0.129870D+01  0.465596D+00
      5  -0.212265D+01 -0.976887D+00  0.301572D+01 -0.721453D+00 -0.231941D+01
      6   0.261780D+02  0.170684D+02 -0.949653D+00  0.156559D+02  0.115556D+02
               136           137           138           139           140 
      1   0.635179D+01  0.617654D+01  0.125142D+02  0.979427D+01  0.138926D+02
      2   0.160247D+02 -0.517372D+01 -0.113431D+02 -0.109100D+02 -0.190755D+02
      3  -0.223765D+02 -0.100281D+01 -0.117114D+01  0.111570D+01  0.518298D+01
      4   0.973129D+01  0.301892D+01  0.278319D+01  0.359511D+00 -0.162324D+02
      5   0.144399D+02 -0.752501D+01 -0.216178D+02 -0.117510D+02  0.660400D+01
      6  -0.513951D+01  0.259217D+01  0.456466D+01  0.556776D+01  0.284054D+02
               141           142           143           144           145 
      1  -0.192966D+01  0.954647D+01  0.190344D+01 -0.154329D+02 -0.186101D+02
      2   0.175069D+02 -0.895825D+01  0.972922D+01  0.184243D+01  0.151130D+02
      3  -0.155773D+02 -0.588228D+00 -0.116327D+02  0.135904D+02  0.349713D+01
      4   0.766060D+01  0.404954D+01  0.468110D+01  0.161525D+01  0.223745D+02
      5   0.952100D+01 -0.215388D+02  0.479533D+01  0.366004D+01  0.264067D+02
      6  -0.995171D+01  0.122863D+01 -0.335955D+01 -0.124695D+02  0.774355D+01
               146           147           148           149           150 
      1   0.182082D+02  0.249885D+02  0.305848D+02  0.121188D+02 -0.235735D+01
      2  -0.109243D+02 -0.112843D+02 -0.224694D+02 -0.283247D+02  0.368631D+01
      3  -0.728394D+01 -0.137041D+02 -0.811539D+01  0.162059D+02 -0.132896D+01
      4   0.242997D+01  0.448354D+01 -0.518868D+01 -0.354555D+02  0.683232D+01
      5   0.182364D+01 -0.958335D+01 -0.143553D+01  0.593015D+01  0.984774D+01
      6   0.833038D+00 -0.175137D+01  0.503828D+00 -0.116624D+01  0.259977D+01
               151           152           153           154           155 
      1   0.310767D+02 -0.179277D+01 -0.137870D+02  0.228739D+02 -0.956205D+01
      2  -0.131148D+02  0.308074D+01  0.146803D+02  0.169919D+00 -0.781263D+01
      3  -0.179619D+02 -0.128797D+01 -0.893300D+00 -0.230439D+02  0.173747D+02
      4   0.287343D+01  0.739697D+01  0.558451D+01 -0.353854D+02  0.303738D+02
      5  -0.154033D+02  0.739535D+01 -0.243498D+02  0.287455D+01 -0.271104D+01
      6  -0.404800D+01  0.399058D+01 -0.825387D+01 -0.357333D+01  0.370430D+01
               156           157           158           159           160 
      1  -0.622541D+00 -0.353515D+01 -0.438945D+00  0.899092D-01 -0.634544D+00
      2   0.105704D+01 -0.100444D+02  0.176425D+02  0.804429D+00  0.666445D+00
      3  -0.434502D+00  0.135795D+02 -0.172036D+02 -0.894338D+00 -0.319013D-01
      4  -0.108742D+01  0.244679D+02 -0.263315D+02  0.200593D+00 -0.334736D+00
      5   0.576907D+01 -0.195621D+01  0.139099D+01 -0.189344D+01  0.614932D+01
      6  -0.295025D+01  0.272255D+01 -0.334217D+01  0.515497D+01 -0.408357D+01
               161           162           163           164           165 
      1   0.172131D+00  0.306132D-01  0.229228D+01  0.135846D+01 -0.507482D+01
      2   0.147203D+01  0.481394D+00 -0.139829D+02 -0.182542D+01 -0.155211D+02
      3  -0.164416D+01 -0.512007D+00  0.116907D+02  0.466961D+00  0.205959D+02
      4  -0.442289D+00 -0.504331D+01 -0.143575D+01  0.383587D+01 -0.254373D+01
      5  -0.424778D+01  0.232972D+00  0.191656D+02  0.453904D+00  0.206326D+02
      6   0.655026D+01 -0.259310D+01 -0.396056D+01  0.252045D+01 -0.482623D+01
               166           167           168           169           170 
      1  -0.182105D+01 -0.728496D+00 -0.181321D+01 -0.336221D+01  0.845915D+00
      2  -0.223100D+01 -0.233347D+01 -0.326227D+01 -0.126042D+02 -0.131022D+01
      3   0.405205D+01  0.306197D+01  0.507548D+01  0.159664D+02  0.464305D+00
      4   0.289464D+01  0.309133D+00  0.157617D+01 -0.152833D+01  0.194168D+01
      5   0.167196D+01  0.335292D+01  0.316696D+01  0.175293D+02  0.156901D+01
      6   0.217343D+01  0.103243D+01  0.541754D+01 -0.226165D+01  0.506329D+01
               171           172           173           174           175 
      1  -0.140067D+02 -0.316492D+01 -0.647111D+01  0.925234D+01 -0.496735D+01
      2  -0.215758D+02 -0.346047D+01  0.113164D+01  0.346229D+01  0.421035D+00
      3   0.355826D+02  0.662540D+01  0.533948D+01 -0.127146D+02  0.454631D+01
      4  -0.196376D+01  0.618139D+01  0.563821D+01 -0.603763D+01  0.490209D+01
      5   0.224944D+02 -0.133896D+02 -0.699915D+01  0.146089D+02 -0.630376D+01
      6  -0.655451D+01 -0.984368D+01 -0.120162D+02  0.135771D+02 -0.892990D+01
               176           177           178           179           180 
      1  -0.937125D+01  0.974364D+01  0.425445D+01  0.724100D+01 -0.126913D+02
      2   0.697706D+01 -0.141986D+00  0.188248D+01  0.297292D+00 -0.692357D+01
      3   0.239420D+01 -0.960165D+01 -0.613694D+01 -0.753829D+01  0.196148D+02
      4   0.413670D+01 -0.404924D+01 -0.246408D+01 -0.316851D+01  0.317267D+01
      5  -0.592955D+01  0.701937D+01  0.986489D+01  0.474448D+01 -0.904648D+01
      6  -0.132858D+02  0.142453D+02  0.681027D+01  0.103288D+02 -0.151924D+02
               181           182           183           184           185 
      1  -0.448426D+01 -0.201726D+00 -0.119291D+02 -0.239740D+01 -0.324482D+01
      2  -0.498795D+01 -0.640904D+00 -0.543683D+01  0.102219D+01  0.205731D+01
      3   0.947220D+01  0.842630D+00  0.173659D+02  0.137521D+01  0.118751D+01
      4  -0.803138D+01 -0.894567D+00 -0.285218D+01 -0.650470D+00  0.367147D+00
      5   0.117312D+02  0.233011D+01  0.644022D+01  0.424153D+01  0.671737D+00
      6   0.196720D+01  0.454382D+01 -0.323604D+01  0.229758D+01 -0.511481D+00
               186           187           188           189           190 
      1  -0.335499D+01 -0.658338D+01 -0.173508D+01 -0.768837D+01 -0.848591D+00
      2  -0.397761D+01 -0.364621D+01 -0.186091D+01 -0.679501D+01  0.636598D+00
      3   0.733260D+01  0.102296D+02  0.359599D+01  0.144834D+02  0.211993D+00
      4  -0.978759D+00 -0.287513D+01  0.237591D+00 -0.242971D+01  0.240678D+01
      5  -0.116725D+01  0.938866D+01  0.754364D+00  0.532337D+01 -0.328180D+01
      6   0.289564D+01  0.242662D-01  0.350796D+01  0.106150D+01 -0.314504D+01
               191           192           193           194           195 
      1   0.152765D+01 -0.137593D+01  0.505978D-01 -0.219055D+02  0.122083D+02
      2  -0.847599D-01  0.167830D+01  0.224049D+01  0.307529D+02 -0.686387D+01
      3  -0.144289D+01 -0.302370D+00 -0.229109D+01 -0.884743D+01 -0.534440D+01
      4   0.685722D+01 -0.251353D+01  0.882137D+01  0.188305D+02 -0.715004D+01
      5  -0.319288D+01  0.556383D+01 -0.483738D+01 -0.664252D+01  0.560177D+01
      6  -0.201976D+01  0.689932D+00 -0.471834D+01 -0.366190D+02  0.205050D+02
               196           197           198           199           200 
      1  -0.444339D+00  0.501387D+01 -0.505079D+01  0.147376D+02 -0.291482D+01
      2   0.146870D+01 -0.745203D+00  0.783564D+00 -0.208854D+02  0.371017D+01
      3  -0.102437D+01 -0.426867D+01  0.426723D+01  0.614786D+01 -0.795349D+00
      4  -0.817581D+00 -0.206867D+01  0.261833D+01 -0.990234D+00  0.501665D+01
      5   0.381825D+01  0.204458D+01 -0.317870D+01 -0.294705D+02  0.465263D+01
      6   0.995099D+00  0.109242D+02 -0.702180D+01  0.332503D+01 -0.607930D+01
               201           202           203           204           205 
      1  -0.403517D+01 -0.485548D+01 -0.203559D+00  0.243051D-01 -0.238643D+01
      2   0.177525D+02  0.725760D+01 -0.108572D+01 -0.883183D+01  0.125117D+02
      3  -0.137173D+02 -0.240212D+01  0.128928D+01  0.880752D+01 -0.101253D+02
      4   0.185698D-01  0.459414D+01 -0.230009D+01 -0.454546D+01 -0.793919D+00
      5   0.276273D+02  0.113602D+02 -0.680945D+01 -0.111647D+02  0.200825D+02
      6  -0.111952D+01 -0.558351D+01  0.182319D+01  0.689754D+01 -0.187030D+01
               206           207           208           209           210 
      1   0.163253D+00 -0.253160D+01  0.806416D+01 -0.229147D+01  0.490369D+01
      2  -0.399867D+01 -0.169651D+02 -0.758238D+01  0.142563D+01 -0.579344D+01
      3   0.383542D+01  0.194967D+02 -0.481782D+00  0.865839D+00  0.889754D+00
      4  -0.263598D+01 -0.116064D+01 -0.975813D+00  0.129524D+01  0.839083D+00
      5  -0.414573D+01 -0.225986D+02  0.717897D+01 -0.702524D+00  0.133918D+02
      6   0.561376D+01  0.192757D+01  0.784293D+00  0.281222D+00  0.205869D+01
               211           212           213           214           215 
      1  -0.697142D+01 -0.118905D+01 -0.918802D+00  0.110942D+02  0.918433D+00
      2   0.458012D+01  0.167323D+01  0.175746D+01 -0.938329D+01  0.166025D+01
      3   0.239130D+01 -0.484181D+00 -0.838658D+00 -0.171093D+01 -0.257868D+01
      4   0.248989D+01  0.161908D+01  0.387819D+01  0.446601D+01  0.676713D+01
      5  -0.189546D+01  0.329798D+01 -0.458583D+01  0.193893D+02 -0.879070D+00
      6   0.706049D+00 -0.463736D-01  0.278726D+01  0.492415D+01  0.383363D+01
               216           217           218           219           220 
      1   0.402946D+01  0.650359D+02 -0.696563D+01 -0.159240D+02 -0.239368D+02
      2  -0.169080D+02 -0.352025D+02  0.502759D+01  0.892065D+01  0.138500D+02
      3   0.128786D+02 -0.298334D+02  0.193804D+01  0.700332D+01  0.100867D+02
      4   0.250864D+00 -0.326018D+00  0.855638D+01  0.709899D+00  0.104461D+02
      5   0.378860D+02 -0.160766D+02  0.178109D+01  0.131935D+02  0.525989D+01
      6   0.111833D+02 -0.349128D+01  0.429121D+00  0.317444D+01 -0.341014D-01
               221           222           223           224           225 
      1   0.576702D+01  0.439007D+01 -0.301021D+02  0.172230D+01  0.120705D+02
      2  -0.422750D+00 -0.300707D+01  0.169445D+02 -0.224865D+01 -0.986030D+01
      3  -0.534427D+01 -0.138300D+01  0.131576D+02  0.526353D+00 -0.221021D+01
      4  -0.222357D+01 -0.391629D+01 -0.735183D+00 -0.644185D+01 -0.157018D+01
      5  -0.370747D+01 -0.623817D+01  0.175173D+02 -0.228773D+01 -0.106435D+02
      6   0.489148D+00  0.613088D+00  0.272141D+01  0.666206D+00 -0.969371D+00
               226           227           228           229           230 
      1   0.572600D+01  0.502683D+01 -0.216953D+01  0.598324D+01 -0.125813D+02
      2   0.251284D-01 -0.165085D+01  0.119506D+01  0.640776D+01  0.392759D+02
      3  -0.575113D+01 -0.337598D+01  0.974468D+00 -0.123910D+02 -0.266946D+02
      4   0.485803D+01  0.895564D+01 -0.600031D+00  0.224733D+02  0.498986D+02
      5  -0.199377D+01  0.286021D+00  0.201084D+01  0.142723D+01 -0.113231D+01
      6  -0.561474D+00  0.446744D-01 -0.329872D+00  0.124139D+01  0.366898D+01
               231           232           233           234 
      1   0.121540D+01 -0.466705D+01  0.751047D+00 -0.173032D+00
      2  -0.168978D+01  0.118664D+01 -0.269000D+01  0.143214D+01
      3   0.474385D+00  0.348041D+01  0.193896D+01 -0.125911D+01
      4  -0.113871D+01 -0.247890D+01 -0.434790D+01  0.425760D+01
      5   0.620093D+01  0.468384D+01  0.461544D+01  0.968865D+00
      6   0.676161D+01  0.241907D+01  0.625754D+01 -0.655079D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 18:42:44 2021, MaxMem= 10737418240 cpu:           29103.0 elap:            1821.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.18961 -10.18160 -10.18130 -10.18040 -10.17845
 Alpha  occ. eigenvalues --  -10.17728 -10.17275 -10.16927 -10.16672 -10.16288
 Alpha  occ. eigenvalues --   -0.88477  -0.78953  -0.75215  -0.73429  -0.68276
 Alpha  occ. eigenvalues --   -0.67347  -0.61377  -0.59730  -0.54985  -0.49587
 Alpha  occ. eigenvalues --   -0.47521  -0.45303  -0.44336  -0.43089  -0.42008
 Alpha  occ. eigenvalues --   -0.40865  -0.40580  -0.39415  -0.38420  -0.37105
 Alpha  occ. eigenvalues --   -0.36869  -0.35577  -0.35045  -0.32575  -0.29756
 Alpha  occ. eigenvalues --   -0.29625  -0.27929  -0.22764
 Alpha virt. eigenvalues --   -0.01049   0.00158   0.00424   0.00604   0.01012
 Alpha virt. eigenvalues --    0.02291   0.02351   0.02679   0.02777   0.03305
 Alpha virt. eigenvalues --    0.04558   0.05047   0.05375   0.05437   0.06060
 Alpha virt. eigenvalues --    0.06819   0.07174   0.07704   0.08273   0.08871
 Alpha virt. eigenvalues --    0.09091   0.09262   0.09543   0.10159   0.10250
 Alpha virt. eigenvalues --    0.10429   0.10716   0.11064   0.11305   0.11613
 Alpha virt. eigenvalues --    0.11813   0.11981   0.12437   0.12531   0.13099
 Alpha virt. eigenvalues --    0.13396   0.14027   0.14277   0.14510   0.14799
 Alpha virt. eigenvalues --    0.15964   0.16227   0.16522   0.17067   0.17305
 Alpha virt. eigenvalues --    0.17865   0.18050   0.18508   0.18805   0.19469
 Alpha virt. eigenvalues --    0.19808   0.20279   0.20726   0.21454   0.21526
 Alpha virt. eigenvalues --    0.21988   0.22559   0.23193   0.23757   0.24401
 Alpha virt. eigenvalues --    0.24822   0.25305   0.25743   0.26173   0.26464
 Alpha virt. eigenvalues --    0.27314   0.27857   0.28669   0.29064   0.29392
 Alpha virt. eigenvalues --    0.30033   0.30766   0.31173   0.31602   0.31773
 Alpha virt. eigenvalues --    0.32670   0.33105   0.33236   0.34128   0.34710
 Alpha virt. eigenvalues --    0.34882   0.35655   0.36723   0.36800   0.37433
 Alpha virt. eigenvalues --    0.37912   0.38064   0.38371   0.38794   0.39175
 Alpha virt. eigenvalues --    0.39824   0.39926   0.40971   0.41206   0.41402
 Alpha virt. eigenvalues --    0.41734   0.42740   0.43134   0.43875   0.44360
 Alpha virt. eigenvalues --    0.45263   0.45812   0.46243   0.47494   0.47777
 Alpha virt. eigenvalues --    0.48293   0.49644   0.50196   0.50531   0.51002
 Alpha virt. eigenvalues --    0.51325   0.51856   0.52136   0.52747   0.53733
 Alpha virt. eigenvalues --    0.54604   0.55310   0.55553   0.56252   0.56482
 Alpha virt. eigenvalues --    0.57123   0.57645   0.58018   0.58276   0.58486
 Alpha virt. eigenvalues --    0.58748   0.59248   0.60306   0.60779   0.61436
 Alpha virt. eigenvalues --    0.62079   0.62623   0.63275   0.63325   0.63582
 Alpha virt. eigenvalues --    0.64902   0.65264   0.65772   0.66416   0.66959
 Alpha virt. eigenvalues --    0.67416   0.67693   0.67997   0.68130   0.68876
 Alpha virt. eigenvalues --    0.70132   0.70423   0.71190   0.72358   0.72385
 Alpha virt. eigenvalues --    0.72986   0.73627   0.73961   0.74962   0.75447
 Alpha virt. eigenvalues --    0.76544   0.77217   0.77689   0.77928   0.79104
 Alpha virt. eigenvalues --    0.79322   0.79863   0.81384   0.81781   0.82537
 Alpha virt. eigenvalues --    0.83586   0.84226   0.85236   0.86213   0.87356
 Alpha virt. eigenvalues --    0.87957   0.88067   0.89334   0.90708   0.92199
 Alpha virt. eigenvalues --    0.92834   0.94076   0.95886   0.97250   0.98410
 Alpha virt. eigenvalues --    0.99015   0.99576   0.99837   1.01773   1.02333
 Alpha virt. eigenvalues --    1.04087   1.05381   1.06236   1.07277   1.08208
 Alpha virt. eigenvalues --    1.08840   1.11034   1.12131   1.12713   1.14438
 Alpha virt. eigenvalues --    1.16210   1.17532   1.19603   1.20037   1.20208
 Alpha virt. eigenvalues --    1.24723   1.24986   1.27663   1.29069   1.30944
 Alpha virt. eigenvalues --    1.32129   1.33586   1.35679   1.36013   1.37100
 Alpha virt. eigenvalues --    1.39099   1.40386   1.41228   1.43122   1.43969
 Alpha virt. eigenvalues --    1.46682   1.46814   1.48264   1.48441   1.50567
 Alpha virt. eigenvalues --    1.51535   1.53163   1.54263   1.54956   1.56856
 Alpha virt. eigenvalues --    1.57767   1.59102   1.60908   1.61499   1.62797
 Alpha virt. eigenvalues --    1.63212   1.65887   1.66258   1.67271   1.68273
 Alpha virt. eigenvalues --    1.68714   1.69416   1.70689   1.71965   1.73967
 Alpha virt. eigenvalues --    1.74263   1.74717   1.76415   1.77836   1.78914
 Alpha virt. eigenvalues --    1.81085   1.82186   1.82902   1.83789   1.84637
 Alpha virt. eigenvalues --    1.84778   1.86669   1.87867   1.89237   1.90365
 Alpha virt. eigenvalues --    1.92955   1.93859   1.94236   1.96801   1.97341
 Alpha virt. eigenvalues --    1.97906   2.00364   2.00747   2.02185   2.03438
 Alpha virt. eigenvalues --    2.04110   2.05148   2.06199   2.07310   2.08803
 Alpha virt. eigenvalues --    2.10238   2.11205   2.13938   2.13999   2.15712
 Alpha virt. eigenvalues --    2.16167   2.16876   2.18982   2.19231   2.20257
 Alpha virt. eigenvalues --    2.21497   2.22461   2.22896   2.24136   2.26821
 Alpha virt. eigenvalues --    2.27309   2.28542   2.30748   2.30981   2.32599
 Alpha virt. eigenvalues --    2.36032   2.36541   2.37175   2.39606   2.40752
 Alpha virt. eigenvalues --    2.41683   2.42879   2.44234   2.44751   2.45812
 Alpha virt. eigenvalues --    2.47775   2.49600   2.50650   2.52155   2.52623
 Alpha virt. eigenvalues --    2.53901   2.54903   2.57578   2.59666   2.61994
 Alpha virt. eigenvalues --    2.62726   2.64641   2.65565   2.68510   2.70696
 Alpha virt. eigenvalues --    2.71586   2.74955   2.75620   2.78125   2.79466
 Alpha virt. eigenvalues --    2.82236   2.84673   2.89247   2.91489   2.92285
 Alpha virt. eigenvalues --    2.96547   2.97608   3.09832   3.12496   3.16968
 Alpha virt. eigenvalues --    3.36955   3.39495   3.87167   4.09850   4.39369
 Alpha virt. eigenvalues --    4.66618
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   20.368032  -1.309719  -8.937847  -2.237718   1.513708  -2.407137
     2  C   -1.309719   8.905384   0.199481   0.257147  -2.015341   0.840078
     3  C   -8.937847   0.199481  18.333258  -0.473213  -7.066428   2.708861
     4  C   -2.237718   0.257147  -0.473213   7.453490   0.361819  -0.193803
     5  C    1.513708  -2.015341  -7.066428   0.361819  24.545575  -7.200502
     6  C   -2.407137   0.840078   2.708861  -0.193803  -7.200502  17.921169
     7  C    1.998262  -1.865489  -2.973503   0.402066   4.853555  -5.918472
     8  C   -1.691735   0.352612   2.052332  -0.501285  -6.238055   3.812397
     9  H   -2.712568   0.231501   0.903046   0.289922  -0.007424   0.134793
    10  H    0.009183  -0.521799   0.272677   0.025300  -0.256401   0.342969
    11  H    0.433374  -0.515289   0.026692  -0.043974   0.064599  -0.153062
    12  H    0.287442  -0.064907   0.361557  -0.571040  -0.061490  -0.035237
    13  H   -0.090488   0.020108   0.040566   0.342164  -0.253203   0.196550
    14  H   -0.297917   0.036417   0.197840   0.403541   0.056721  -0.068292
    15  H   -0.061924   0.215215   1.113383  -0.415456  -4.346288   0.809359
    16  C   -0.016008  -0.329816  -0.564746   0.214121   1.506451  -3.195274
    17  C    0.138407  -0.131064  -0.141094  -0.043937  -0.016905  -1.405970
    18  H    0.028739   0.625497   0.037161  -0.029883  -0.371893   0.450981
    19  H   -0.410024   0.043460   0.550591   0.085522   0.004987  -0.061033
    20  H    0.276331   0.210006   0.015365  -0.231081  -0.849884   0.407013
    21  H    0.319996  -0.003168  -0.155521  -0.219516  -0.521085   0.780024
    22  H    0.048783  -0.054002   0.213605  -0.023748  -0.256521   0.149645
    23  H   -0.050016   0.056945   0.028942   0.063789   0.253830  -0.094481
    24  H    0.012098   0.006671   0.000913   0.042059   0.048201   0.984283
    25  H   -0.021256   0.071814  -0.035369  -0.008679   0.031767   0.033539
    26  H    0.019916  -0.055153   0.100929  -0.026642  -0.219793  -0.112461
               7          8          9         10         11         12
     1  C    1.998262  -1.691735  -2.712568   0.009183   0.433374   0.287442
     2  C   -1.865489   0.352612   0.231501  -0.521799  -0.515289  -0.064907
     3  C   -2.973503   2.052332   0.903046   0.272677   0.026692   0.361557
     4  C    0.402066  -0.501285   0.289922   0.025300  -0.043974  -0.571040
     5  C    4.853555  -6.238055  -0.007424  -0.256401   0.064599  -0.061490
     6  C   -5.918472   3.812397   0.134793   0.342969  -0.153062  -0.035237
     7  C   17.356531  -5.423713  -0.326600  -0.157008   0.119315   0.034381
     8  C   -5.423713  11.857044   0.186552   0.138014   0.027267  -0.046703
     9  H   -0.326600   0.186552   3.468735  -0.086705  -0.043911  -0.106532
    10  H   -0.157008   0.138014  -0.086705   2.354485  -0.641184   0.001670
    11  H    0.119315   0.027267  -0.043911  -0.641184   2.282789  -0.005091
    12  H    0.034381  -0.046703  -0.106532   0.001670  -0.005091   1.987759
    13  H   -0.077740   0.110751   0.021155   0.000827  -0.001079  -0.217252
    14  H    0.010112   0.008687   0.017713   0.002509   0.000898  -0.260383
    15  H   -0.486986   1.251135  -0.030210  -0.006644   0.013145   0.027640
    16  C    1.672359  -1.230745   0.079517   0.005573  -0.111682   0.026758
    17  C   -0.891829   0.328854  -0.006887   0.015586   0.002160   0.006607
    18  H   -3.255516   0.987920   0.003118  -0.087000  -0.050599  -0.000109
    19  H    0.330796  -1.180376   0.004651   0.053644  -0.016310   0.000954
    20  H   -1.014281   0.436578  -0.011547  -0.060377   0.051356  -0.004058
    21  H   -0.385686   0.251242  -0.045777   0.023121  -0.023448   0.027524
    22  H    0.067578   0.044729   0.009136  -0.010013   0.020319  -0.004804
    23  H   -0.000678  -0.146941   0.000836   0.016119  -0.043668   0.003045
    24  H    0.090497  -0.309409  -0.002117  -0.002532   0.004706   0.000616
    25  H   -0.055714   0.034893   0.000582  -0.005538   0.027161   0.000380
    26  H   -0.102324   0.092322   0.000584   0.005765  -0.014811  -0.000682
              13         14         15         16         17         18
     1  C   -0.090488  -0.297917  -0.061924  -0.016008   0.138407   0.028739
     2  C    0.020108   0.036417   0.215215  -0.329816  -0.131064   0.625497
     3  C    0.040566   0.197840   1.113383  -0.564746  -0.141094   0.037161
     4  C    0.342164   0.403541  -0.415456   0.214121  -0.043937  -0.029883
     5  C   -0.253203   0.056721  -4.346288   1.506451  -0.016905  -0.371893
     6  C    0.196550  -0.068292   0.809359  -3.195274  -1.405970   0.450981
     7  C   -0.077740   0.010112  -0.486986   1.672359  -0.891829  -3.255516
     8  C    0.110751   0.008687   1.251135  -1.230745   0.328854   0.987920
     9  H    0.021155   0.017713  -0.030210   0.079517  -0.006887   0.003118
    10  H    0.000827   0.002509  -0.006644   0.005573   0.015586  -0.087000
    11  H   -0.001079   0.000898   0.013145  -0.111682   0.002160  -0.050599
    12  H   -0.217252  -0.260383   0.027640   0.026758   0.006607  -0.000109
    13  H    1.360540  -0.264213  -0.044094  -0.044823   0.028621  -0.002954
    14  H   -0.264213   1.340170   0.017103   0.026071  -0.047860  -0.001494
    15  H   -0.044094   0.017103   4.472242  -0.331896  -0.065976   0.003240
    16  C   -0.044823   0.026071  -0.331896   7.675435  -0.789664  -0.275430
    17  C    0.028621  -0.047860  -0.065976  -0.789664   7.465585   0.132209
    18  H   -0.002954  -0.001494   0.003240  -0.275430   0.132209   3.743856
    19  H    0.011569   0.007898  -0.123998   0.197578   0.069237  -0.118732
    20  H    0.005500  -0.009057   0.203833  -0.179108   0.012394   0.150754
    21  H   -0.003100  -0.040960   0.021681  -0.199919   0.212677  -0.000828
    22  H   -0.005136   0.015811   0.032579  -0.034218  -0.274836   0.005271
    23  H   -0.001348   0.007606  -0.005295  -0.030324   0.006165   0.001238
    24  H    0.002454   0.001059  -0.075245  -0.165378  -0.501957  -0.068039
    25  H   -0.000153  -0.002146   0.038405   0.019480   0.012268  -0.017177
    26  H    0.004827  -0.004085  -0.040719   0.239241   0.221056   0.024930
              19         20         21         22         23         24
     1  C   -0.410024   0.276331   0.319996   0.048783  -0.050016   0.012098
     2  C    0.043460   0.210006  -0.003168  -0.054002   0.056945   0.006671
     3  C    0.550591   0.015365  -0.155521   0.213605   0.028942   0.000913
     4  C    0.085522  -0.231081  -0.219516  -0.023748   0.063789   0.042059
     5  C    0.004987  -0.849884  -0.521085  -0.256521   0.253830   0.048201
     6  C   -0.061033   0.407013   0.780024   0.149645  -0.094481   0.984283
     7  C    0.330796  -1.014281  -0.385686   0.067578  -0.000678   0.090497
     8  C   -1.180376   0.436578   0.251242   0.044729  -0.146941  -0.309409
     9  H    0.004651  -0.011547  -0.045777   0.009136   0.000836  -0.002117
    10  H    0.053644  -0.060377   0.023121  -0.010013   0.016119  -0.002532
    11  H   -0.016310   0.051356  -0.023448   0.020319  -0.043668   0.004706
    12  H    0.000954  -0.004058   0.027524  -0.004804   0.003045   0.000616
    13  H    0.011569   0.005500  -0.003100  -0.005136  -0.001348   0.002454
    14  H    0.007898  -0.009057  -0.040960   0.015811   0.007606   0.001059
    15  H   -0.123998   0.203833   0.021681   0.032579  -0.005295  -0.075245
    16  C    0.197578  -0.179108  -0.199919  -0.034218  -0.030324  -0.165378
    17  C    0.069237   0.012394   0.212677  -0.274836   0.006165  -0.501957
    18  H   -0.118732   0.150754  -0.000828   0.005271   0.001238  -0.068039
    19  H    3.362809  -1.075687   0.034454  -0.005850  -0.007722  -0.065225
    20  H   -1.075687   3.425625  -0.004489   0.006258  -0.008782  -0.002429
    21  H    0.034454  -0.004489   2.555451  -0.637364  -0.611432  -0.073428
    22  H   -0.005850   0.006258  -0.637364   2.293122  -0.299760   0.031098
    23  H   -0.007722  -0.008782  -0.611432  -0.299760   2.052232   0.045242
    24  H   -0.065225  -0.002429  -0.073428   0.031098   0.045242   2.339056
    25  H    0.006165   0.009045   0.023260   0.018186  -0.071397  -0.457494
    26  H    0.021355   0.003388   0.070569  -0.088703  -0.000258  -0.485460
              25         26
     1  C   -0.021256   0.019916
     2  C    0.071814  -0.055153
     3  C   -0.035369   0.100929
     4  C   -0.008679  -0.026642
     5  C    0.031767  -0.219793
     6  C    0.033539  -0.112461
     7  C   -0.055714  -0.102324
     8  C    0.034893   0.092322
     9  H    0.000582   0.000584
    10  H   -0.005538   0.005765
    11  H    0.027161  -0.014811
    12  H    0.000380  -0.000682
    13  H   -0.000153   0.004827
    14  H   -0.002146  -0.004085
    15  H    0.038405  -0.040719
    16  C    0.019480   0.239241
    17  C    0.012268   0.221056
    18  H   -0.017177   0.024930
    19  H    0.006165   0.021355
    20  H    0.009045   0.003388
    21  H    0.023260   0.070569
    22  H    0.018186  -0.088703
    23  H   -0.071397  -0.000258
    24  H   -0.457494  -0.485460
    25  H    2.202349  -0.564909
    26  H   -0.564909   2.189338
 Mulliken charges:
               1
     1  C    0.790085
     2  C    0.793411
     3  C   -0.809477
     4  C    1.079036
     5  C    2.439998
     6  C   -2.725937
     7  C    2.000085
     8  C    0.795631
     9  H   -0.971560
    10  H   -0.432240
    11  H   -0.409673
    12  H   -0.388044
    13  H   -0.140049
    14  H   -0.153747
    15  H   -1.184230
    16  C    1.836447
    17  C    1.666151
    18  H   -0.915263
    19  H   -0.720713
    20  H   -0.762667
    21  H   -0.394278
    22  H   -0.261164
    23  H   -0.163885
    24  H   -0.400240
    25  H   -0.289461
    26  H   -0.278218
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.181475
     2  C   -0.048502
     3  C   -0.809477
     4  C    0.397196
     5  C    1.255768
     6  C   -2.725937
     7  C    1.084823
     8  C   -0.687749
    16  C    1.017118
    17  C    0.698233
 Electronic spatial extent (au):  <R**2>=           1371.3611
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.1086    Y=             -0.1199    Z=             -0.0758  Tot=              0.1787
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -64.3775   YY=            -63.6661   ZZ=            -65.2433
   XY=             -0.6756   XZ=              0.4129   YZ=              0.8668
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.0515   YY=              0.7629   ZZ=             -0.8144
   XY=             -0.6756   XZ=              0.4129   YZ=              0.8668
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              2.8239  YYY=             -0.7963  ZZZ=             -2.5505  XYY=              0.7492
  XXY=              1.3389  XXZ=              1.8340  XZZ=             -0.4627  YZZ=              0.7227
  YYZ=              0.5407  XYZ=              0.8324
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -991.6453 YYYY=           -533.2577 ZZZZ=           -442.1925 XXXY=             -6.2946
 XXXZ=              4.2589 YYYX=              1.9344 YYYZ=             -2.6141 ZZZX=              1.8703
 ZZZY=              6.0954 XXYY=           -259.0118 XXZZ=           -234.0417 YYZZ=           -163.6129
 XXYZ=              4.3897 YYXZ=             -0.0031 ZZXY=             -1.4129
 N-N= 5.686174202710D+02 E-N=-2.041488104498D+03  KE= 3.883318608456D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 18:42:45 2021, MaxMem= 10737418240 cpu:               8.3 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.01354395D-02-4.67109708D-02-2.98293330D-02
 Polarizability= 1.17628112D+02-3.73203591D-01 1.14129905D+02
                 4.01355505D-01 4.33344675D+00 1.02520822D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.2135   -0.2141       -0.3267   -0.3252
 2      0.2135    0.2141       -2.4115   -2.4143       -1.8353   -1.8381
 3      0.3267    0.3252        8.2896    8.2954        2.4145    2.4143
 4      2.4115    2.4143        0.0000    0.0000        0.3283    0.3252
 5     -6.4543   -6.4573       -0.3283   -0.3252       -0.2154   -0.2141
 6     -2.4145   -2.4143        0.2154    0.2141        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.6424    0.6424       -0.9755   -0.9755
 2      7.2428    7.2428        0.0000    0.0000       -0.9755   -0.9755
 3      7.2428    7.2428        0.6424    0.6424        0.0000    0.0000
 4      0.6424    0.6424       -7.2428   -7.2428       -5.5144   -5.5144
 5      0.9755    0.9755       24.8862   24.8862        7.2428    7.2428
 6    -19.3719  -19.3719       -0.9755   -0.9755       -0.6424   -0.6424
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0012    0.0000        0.8121    0.8565        1.2076    1.3007
 2     -0.9407   -0.8565        9.5493    9.6571        7.3543    7.3525
 3     -1.3686   -1.3007      -33.0645  -33.1816       -9.5964   -9.6571
 4     -9.6237   -9.6571       -0.0244    0.0000       -1.3840   -1.3007
 5     25.8629   25.8291        1.2936    1.3007        0.7846    0.8565
 6      9.6726    9.6571       -0.8482   -0.8565        0.0186    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0139    0.0000       13.8622   13.7706       -7.4560   -7.5326
 2    -13.9272  -13.7706      -28.1418  -28.2095      -32.9560  -32.8930
 3      7.5992    7.5326      -30.5179  -30.5770       28.0447   28.2095
 4     28.2720   28.2095        0.0140    0.0000        7.5474    7.5326
 5     63.5437   63.4700       -7.6165   -7.5326       13.8587   13.7706
 6    -28.3204  -28.2095      -13.7756  -13.7706       -0.0702    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     23.5026   23.4986       41.9667   42.0260       -5.0941   -4.7340
 2     57.6937   57.5634       61.1823   61.1119       -5.0890   -4.7340
 3     57.7086   57.5634       42.0472   42.0260       -7.6672   -7.4238
 4    -19.2522  -19.0859      -34.0876  -34.0648      -39.8391  -39.8788
 5     -2.6761   -2.6899      -23.8547  -23.8919       33.7381   34.0648
 6     63.8629   63.7706        2.3756    2.6899       19.3643   19.0859
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.9800   -0.0005    0.0001    0.0005    5.6420    9.5001
 Low frequencies ---  124.3867  182.0856  195.0144
 Diagonal vibrational polarizability:
        1.7543591       1.9093594       3.3530616
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --    124.3849               182.0848               195.0142
 Red. masses --      2.6490                 1.0304                 1.8429
 Frc consts  --      0.0241                 0.0201                 0.0413
 IR Inten    --      0.9979                 0.0619                 0.0468
 RamAct Fr= 1--      1.9381                 0.0688                 0.7860
  Dep-P Fr= 1--      0.7435                 0.7263                 0.7426
  Dep-U Fr= 1--      0.8529                 0.8415                 0.8523
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0001
 Beta2  Fr= 1--      0.2755                 0.0096                 0.1117
 AlphaG Fr= 1--     -0.0069                -0.0000                 0.0001
 Gamma2 Fr= 1--     -0.0944                -0.0426                 0.3451
 Delta2 Fr= 1--     -0.1129                 0.0044                -0.0124
 Raman1 Fr= 1--       7.753                  0.275                  3.144
 ROA1   Fr= 1--     -12.678                 -3.947                 32.730
 CID1   Fr= 1--      -1.635                -14.349                 10.410
 Raman2 Fr= 1--       3.306                  0.116                  1.340
 ROA2   Fr= 1--      -1.363                 -1.058                  8.381
 CID2   Fr= 1--      -0.412                 -9.138                  6.255
 Raman3 Fr= 1--       6.612                  0.231                  2.680
 ROA3   Fr= 1--     -12.678                 -3.947                 32.730
 CID3   Fr= 1--      -1.917                -17.053                 12.213
 RC180  Fr= 1--       0.706                  0.683                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04  -0.07    -0.00  -0.01   0.01     0.00   0.03  -0.03
     2   6     0.01   0.05  -0.04     0.01   0.01  -0.01    -0.01   0.01  -0.01
     3   6    -0.01   0.03  -0.05    -0.01  -0.01   0.01     0.00   0.01   0.02
     4   6    -0.12  -0.10   0.21    -0.00  -0.00  -0.02     0.06   0.07   0.03
     5   6     0.00   0.07  -0.09    -0.01  -0.00   0.01    -0.00  -0.05   0.03
     6   6     0.04  -0.01  -0.02    -0.00   0.01   0.00    -0.01  -0.02   0.00
     7   6    -0.02   0.02   0.03     0.00   0.01  -0.00     0.02  -0.02  -0.01
     8   6    -0.06   0.08  -0.01     0.00  -0.00   0.00     0.02  -0.06  -0.00
     9   1    -0.02  -0.00   0.01    -0.00  -0.01   0.01     0.02   0.07  -0.10
    10   1    -0.03   0.04  -0.07     0.02  -0.01  -0.04    -0.03   0.02  -0.01
    11   1     0.06   0.05  -0.03     0.00   0.05  -0.02    -0.01  -0.01  -0.01
    12   1    -0.13  -0.14   0.25    -0.02  -0.03   0.03     0.15   0.30  -0.29
    13   1    -0.05  -0.33   0.29     0.02   0.07  -0.03    -0.16  -0.22   0.05
    14   1    -0.30   0.02   0.35    -0.01  -0.03  -0.09     0.26   0.19   0.39
    15   1     0.01   0.09  -0.13    -0.01  -0.00   0.01     0.02  -0.06   0.05
    16   6     0.15  -0.11  -0.05     0.01  -0.02  -0.00     0.01  -0.14  -0.03
    17   6     0.03  -0.02   0.03    -0.00   0.01   0.00    -0.10   0.16   0.01
    18   1    -0.05  -0.01   0.09     0.01   0.01  -0.01     0.01  -0.03  -0.04
    19   1    -0.08   0.08   0.00     0.00   0.00   0.00     0.02  -0.06  -0.00
    20   1    -0.10   0.13  -0.02     0.01  -0.01   0.00     0.03  -0.09  -0.01
    21   1     0.13  -0.03  -0.07    -0.17   0.33   0.11     0.01  -0.17  -0.02
    22   1     0.28  -0.12  -0.14     0.45  -0.05  -0.08     0.03  -0.15  -0.15
    23   1     0.12  -0.25   0.03    -0.22  -0.40  -0.05     0.01  -0.22   0.04
    24   1    -0.05   0.04   0.05     0.17  -0.30  -0.09    -0.12   0.25   0.04
    25   1     0.05  -0.10   0.11    -0.03   0.29  -0.24    -0.01   0.25   0.08
    26   1     0.08  -0.03  -0.04    -0.15   0.05   0.34    -0.25   0.15  -0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --    204.2232               225.1366               264.2680
 Red. masses --      1.2526                 1.1172                 2.8534
 Frc consts  --      0.0308                 0.0334                 0.1174
 IR Inten    --      0.1289                 0.1561                 0.0331
 RamAct Fr= 1--      0.3259                 0.2986                 1.8294
  Dep-P Fr= 1--      0.7497                 0.7486                 0.5808
  Dep-U Fr= 1--      0.8570                 0.8562                 0.7348
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0058
 Beta2  Fr= 1--      0.0465                 0.0426                 0.2240
 AlphaG Fr= 1--      0.0003                -0.0010                 0.0007
 Gamma2 Fr= 1--     -0.3154                 0.3006                 0.2106
 Delta2 Fr= 1--      0.0593                 0.0169                 0.0413
 Raman1 Fr= 1--       1.304                  1.194                  7.318
 ROA1   Fr= 1--     -28.384                 29.399                 21.544
 CID1   Fr= 1--     -21.773                 24.617                  2.944
 Raman2 Fr= 1--       0.559                  0.511                  2.689
 ROA2   Fr= 1--      -8.045                  7.079                  4.725
 CID2   Fr= 1--     -14.403                 13.846                  1.757
 Raman3 Fr= 1--       1.117                  1.022                  5.377
 ROA3   Fr= 1--     -28.384                 29.399                 21.544
 CID3   Fr= 1--     -25.407                 28.752                  4.007
 RC180  Fr= 1--       0.714                  0.712                  0.470
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00   0.01    -0.01  -0.00  -0.01    -0.12  -0.10   0.17
     2   6    -0.01   0.01  -0.03    -0.02  -0.02   0.03    -0.09  -0.06   0.08
     3   6    -0.01  -0.00   0.02     0.01   0.01  -0.03    -0.04  -0.03   0.01
     4   6     0.03   0.03   0.02     0.01   0.01   0.03    -0.01   0.01  -0.02
     5   6     0.00  -0.02  -0.01     0.01   0.00  -0.04     0.01  -0.00  -0.08
     6   6     0.00  -0.01  -0.00     0.01  -0.03  -0.01     0.02   0.03  -0.06
     7   6     0.01  -0.01  -0.02    -0.01  -0.02   0.01     0.00   0.01  -0.11
     8   6     0.00  -0.04  -0.02    -0.01   0.02  -0.01     0.07   0.01  -0.08
     9   1    -0.03  -0.01   0.04    -0.02  -0.01   0.01    -0.17  -0.15   0.29
    10   1     0.01  -0.01  -0.06    -0.05   0.00   0.08     0.02  -0.04   0.20
    11   1    -0.03   0.04  -0.04    -0.02  -0.08   0.04    -0.25  -0.14   0.04
    12   1    -0.15  -0.13   0.46    -0.02   0.02   0.08     0.06   0.11  -0.21
    13   1     0.39   0.44   0.02     0.07  -0.01   0.05    -0.16  -0.12  -0.03
    14   1    -0.11  -0.15  -0.44    -0.02   0.02   0.03     0.11   0.06   0.16
    15   1     0.01  -0.03   0.00     0.03   0.02  -0.07     0.01  -0.00  -0.08
    16   6     0.04  -0.05  -0.02     0.03   0.00  -0.01     0.17   0.12  -0.05
    17   6    -0.05   0.08   0.04    -0.02   0.02   0.02    -0.03   0.01   0.11
    18   1    -0.00  -0.02  -0.04    -0.02  -0.04   0.03    -0.00   0.00  -0.17
    19   1     0.00  -0.04  -0.01    -0.02   0.03   0.00     0.08   0.01  -0.10
    20   1     0.00  -0.04  -0.03    -0.03   0.04  -0.01     0.09  -0.01  -0.07
    21   1     0.07  -0.09  -0.04     0.17  -0.26  -0.11     0.15   0.24  -0.12
    22   1     0.02  -0.05  -0.06    -0.31   0.03   0.06     0.31   0.12  -0.00
    23   1     0.08  -0.05   0.03     0.21   0.30   0.03     0.15   0.04  -0.01
    24   1    -0.14   0.19   0.08     0.17  -0.34  -0.09    -0.19   0.06   0.15
    25   1     0.02   0.06   0.16    -0.02   0.38  -0.25     0.05  -0.02   0.26
    26   1    -0.09   0.06  -0.06    -0.24   0.07   0.42    -0.00   0.01   0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    307.1169               336.7965               390.9425
 Red. masses --      2.3115                 1.8960                 2.2632
 Frc consts  --      0.1285                 0.1267                 0.2038
 IR Inten    --      0.8534                 1.1205                 0.1308
 RamAct Fr= 1--      1.4155                 0.2622                 1.2439
  Dep-P Fr= 1--      0.6941                 0.6422                 0.7396
  Dep-U Fr= 1--      0.8194                 0.7821                 0.8503
 Alpha2 Fr= 1--      0.0014                 0.0005                 0.0002
 Beta2  Fr= 1--      0.1933                 0.0342                 0.1763
 AlphaG Fr= 1--      0.0176                -0.0064                -0.0010
 Gamma2 Fr= 1--      0.0018                -0.1006                -0.9016
 Delta2 Fr= 1--      0.0796                 0.0215                -0.0699
 Raman1 Fr= 1--       5.662                  1.049                  4.976
 ROA1   Fr= 1--       2.717                 -8.965                -88.789
 CID1   Fr= 1--       0.480                 -8.547                -17.845
 Raman2 Fr= 1--       2.320                  0.410                  2.115
 ROA2   Fr= 1--      -0.594                 -2.586                -21.080
 CID2   Fr= 1--      -0.256                 -6.304                 -9.965
 Raman3 Fr= 1--       4.640                  0.820                  4.231
 ROA3   Fr= 1--       2.717                 -8.965                -88.789
 CID3   Fr= 1--       0.586                -10.927                -20.987
 RC180  Fr= 1--       0.639                  0.564                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.07  -0.09    -0.05  -0.11   0.13    -0.03   0.01   0.07
     2   6     0.03  -0.09   0.05     0.08   0.06  -0.12    -0.07  -0.01  -0.04
     3   6     0.03  -0.06  -0.11    -0.03  -0.05   0.01     0.08   0.06  -0.04
     4   6     0.16   0.05   0.11     0.06   0.04   0.01    -0.02  -0.06  -0.04
     5   6    -0.02  -0.01  -0.08    -0.02   0.03  -0.04     0.11   0.01  -0.06
     6   6    -0.02  -0.01  -0.02     0.00   0.01   0.01     0.10  -0.10   0.01
     7   6    -0.02  -0.01   0.04    -0.01   0.03   0.03    -0.05  -0.12   0.05
     8   6    -0.08   0.06   0.00    -0.07   0.05   0.00    -0.06  -0.01   0.01
     9   1     0.03  -0.10  -0.08    -0.08  -0.20   0.25    -0.10   0.02   0.21
    10   1    -0.00  -0.04   0.15     0.26  -0.14  -0.47    -0.09  -0.08  -0.20
    11   1     0.09  -0.22   0.09     0.11   0.47  -0.20    -0.06   0.15  -0.07
    12   1     0.00   0.25   0.24     0.05   0.20  -0.08     0.06  -0.19  -0.07
    13   1     0.40  -0.02   0.19     0.03   0.02   0.01    -0.09  -0.12  -0.04
    14   1     0.24   0.05   0.17     0.24   0.03   0.09    -0.15  -0.00  -0.01
    15   1    -0.08   0.03  -0.15    -0.06   0.04  -0.07     0.19   0.04  -0.11
    16   6    -0.07   0.10   0.00    -0.01  -0.04  -0.00    -0.03   0.05   0.07
    17   6    -0.05   0.00   0.02     0.02  -0.03   0.01     0.03   0.12  -0.03
    18   1     0.00   0.02   0.12    -0.00   0.04   0.08    -0.13  -0.23   0.15
    19   1    -0.11   0.08   0.04    -0.09   0.04   0.02    -0.05  -0.07   0.01
    20   1    -0.11   0.09  -0.02    -0.10   0.07  -0.02    -0.15   0.11   0.00
    21   1    -0.18   0.33   0.07     0.03  -0.16  -0.00    -0.13   0.22   0.16
    22   1     0.14   0.10   0.10    -0.14  -0.04  -0.03     0.03   0.07   0.25
    23   1    -0.21  -0.01  -0.12     0.04   0.04   0.02    -0.16   0.09  -0.14
    24   1    -0.13   0.08   0.04     0.03  -0.09  -0.01     0.04   0.32   0.01
    25   1    -0.02  -0.05   0.11    -0.01  -0.03  -0.03     0.13   0.23   0.04
    26   1    -0.02  -0.01  -0.06     0.06  -0.02   0.06    -0.20   0.11  -0.18
                     10                     11                     12
                      A                      A                      A
 Frequencies --    397.1011               430.4228               467.2026
 Red. masses --      2.4370                 2.2223                 2.9458
 Frc consts  --      0.2264                 0.2426                 0.3788
 IR Inten    --      0.2618                 1.0229                 0.1932
 RamAct Fr= 1--      1.7693                 0.8785                 2.2515
  Dep-P Fr= 1--      0.1382                 0.6842                 0.3862
  Dep-U Fr= 1--      0.2428                 0.8125                 0.5572
 Alpha2 Fr= 1--      0.0282                 0.0010                 0.0175
 Beta2  Fr= 1--      0.0716                 0.1190                 0.2091
 AlphaG Fr= 1--      0.0383                -0.0050                 0.0110
 Gamma2 Fr= 1--     -0.0303                -0.2739                -0.0471
 Delta2 Fr= 1--      0.0275                 0.0234                -0.1199
 Raman1 Fr= 1--       7.077                  3.514                  9.006
 ROA1   Fr= 1--      -2.027                -25.550                 -8.358
 CID1   Fr= 1--      -0.286                 -7.271                 -0.928
 Raman2 Fr= 1--       0.859                  1.428                  2.509
 ROA2   Fr= 1--      -0.946                 -6.762                 -0.172
 CID2   Fr= 1--      -1.101                 -4.737                 -0.069
 Raman3 Fr= 1--       1.718                  2.855                  5.018
 ROA3   Fr= 1--      -2.027                -25.550                 -8.358
 CID3   Fr= 1--      -1.180                 -8.949                 -1.666
 RC180  Fr= 1--      -0.514                  0.625                  0.114
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.05   0.04    -0.01   0.02  -0.08    -0.13  -0.05  -0.08
     2   6     0.04   0.01   0.00    -0.04   0.02  -0.07    -0.06   0.03  -0.01
     3   6     0.07   0.07  -0.00    -0.00  -0.06   0.06    -0.09  -0.03  -0.12
     4   6    -0.01  -0.02  -0.02     0.03  -0.04  -0.01    -0.05   0.04   0.00
     5   6     0.08   0.06  -0.05     0.01   0.00  -0.01    -0.05  -0.05  -0.07
     6   6     0.01  -0.01  -0.06    -0.05  -0.07  -0.02     0.12   0.03   0.08
     7   6     0.05   0.01  -0.05    -0.07  -0.05   0.04     0.03   0.01  -0.03
     8   6     0.03   0.03  -0.05     0.17   0.13   0.09     0.12   0.04  -0.03
     9   1     0.04   0.04   0.10    -0.00   0.10  -0.16    -0.12  -0.13  -0.05
    10   1     0.02   0.03   0.02    -0.09  -0.06  -0.27    -0.02   0.05   0.07
    11   1    -0.01  -0.01  -0.01     0.09   0.19  -0.07    -0.07  -0.06   0.01
    12   1     0.05  -0.13  -0.04     0.05  -0.03  -0.05    -0.12   0.15   0.06
    13   1    -0.06  -0.06  -0.02    -0.02   0.03  -0.04     0.07  -0.02   0.05
    14   1    -0.11   0.01  -0.01     0.09  -0.07  -0.05    -0.02   0.06   0.05
    15   1     0.16   0.07  -0.08     0.02   0.07  -0.13    -0.15  -0.05  -0.05
    16   6    -0.17  -0.06  -0.06     0.02   0.03  -0.01    -0.08  -0.07   0.12
    17   6    -0.07  -0.08   0.19    -0.10  -0.04   0.04     0.18   0.06   0.09
    18   1     0.06   0.03  -0.05    -0.09  -0.08   0.01    -0.03  -0.07  -0.09
    19   1    -0.01  -0.04   0.01     0.37   0.26  -0.17     0.21   0.24  -0.20
    20   1    -0.02   0.05  -0.11     0.31   0.22   0.43     0.29  -0.02   0.18
    21   1    -0.25  -0.11   0.15     0.04   0.10  -0.09    -0.16  -0.17   0.37
    22   1    -0.25  -0.06  -0.12     0.06   0.04   0.11    -0.20  -0.08   0.01
    23   1    -0.28  -0.07  -0.20     0.05   0.07  -0.01    -0.19  -0.09  -0.03
    24   1    -0.34  -0.19   0.21    -0.12  -0.01   0.04     0.23   0.07   0.08
    25   1     0.06  -0.04   0.37    -0.05   0.00   0.08     0.15   0.04   0.06
    26   1    -0.02  -0.06   0.34    -0.15  -0.04   0.03     0.19   0.05   0.07
                     13                     14                     15
                      A                      A                      A
 Frequencies --    489.6757               578.3572               629.1329
 Red. masses --      3.7393                 3.0073                 3.6147
 Frc consts  --      0.5283                 0.5927                 0.8430
 IR Inten    --      0.4536                 1.4831                 0.8058
 RamAct Fr= 1--      2.0863                 4.8931                 2.5146
  Dep-P Fr= 1--      0.4731                 0.1338                 0.4939
  Dep-U Fr= 1--      0.6423                 0.2360                 0.6612
 Alpha2 Fr= 1--      0.0116                 0.0788                 0.0128
 Beta2  Fr= 1--      0.2233                 0.1925                 0.2771
 AlphaG Fr= 1--     -0.0238                -0.0207                 0.0047
 Gamma2 Fr= 1--      0.5552                -0.8685                 0.9861
 Delta2 Fr= 1--      0.1168                -0.5352                 0.7629
 Raman1 Fr= 1--       8.345                 19.572                 10.058
 ROA1   Fr= 1--      57.038               -100.506                119.077
 CID1   Fr= 1--       6.835                 -5.135                 11.839
 Raman2 Fr= 1--       2.680                  2.310                  3.325
 ROA2   Fr= 1--      12.390                -16.564                 17.563
 CID2   Fr= 1--       4.623                 -7.172                  5.282
 Raman3 Fr= 1--       5.360                  4.619                  6.651
 ROA3   Fr= 1--      57.038               -100.506                119.077
 CID3   Fr= 1--      10.641                -21.759                 17.904
 RC180  Fr= 1--       0.285                 -0.528                  0.322
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02  -0.03    -0.02   0.02  -0.09     0.13   0.01   0.00
     2   6    -0.15  -0.06  -0.07    -0.01   0.02   0.00     0.07  -0.16  -0.09
     3   6     0.16  -0.07   0.03    -0.11  -0.14   0.24    -0.06  -0.03   0.17
     4   6     0.18  -0.18  -0.02    -0.02  -0.01   0.02    -0.07   0.07   0.03
     5   6     0.05   0.10   0.10     0.02  -0.02  -0.02     0.00   0.13  -0.06
     6   6    -0.02   0.16   0.05     0.12  -0.01  -0.09    -0.03  -0.05   0.06
     7   6    -0.18   0.09  -0.10    -0.01  -0.01   0.05     0.01  -0.05  -0.13
     8   6    -0.06   0.05  -0.01    -0.08   0.02   0.01    -0.04   0.11  -0.17
     9   1    -0.13   0.17   0.03     0.05   0.09  -0.26     0.12   0.03   0.01
    10   1    -0.09  -0.01   0.08    -0.09   0.07   0.08    -0.02  -0.03   0.14
    11   1    -0.18  -0.19  -0.06     0.05  -0.10   0.04    -0.06  -0.39  -0.08
    12   1     0.22  -0.25  -0.04     0.03   0.09  -0.13    -0.04   0.15  -0.08
    13   1     0.14  -0.17  -0.03    -0.21   0.26  -0.09    -0.20   0.25  -0.05
    14   1     0.15  -0.18  -0.03     0.29  -0.17  -0.10     0.16  -0.04  -0.05
    15   1    -0.12   0.09   0.12     0.02  -0.00  -0.05     0.10   0.16  -0.11
    16   6    -0.02  -0.05   0.02    -0.01   0.03  -0.15     0.02  -0.05   0.22
    17   6     0.07   0.05   0.03     0.14   0.06   0.05    -0.03  -0.01  -0.02
    18   1    -0.16   0.11  -0.11    -0.08  -0.11   0.16     0.08   0.06   0.01
    19   1     0.05  -0.14  -0.06    -0.17  -0.07   0.14     0.04   0.02  -0.23
    20   1    -0.11   0.15   0.02    -0.20   0.07  -0.12    -0.06   0.21  -0.10
    21   1     0.03  -0.24   0.07    -0.08   0.02   0.00     0.02  -0.05   0.22
    22   1    -0.08  -0.08  -0.28    -0.10   0.04  -0.10     0.02  -0.05   0.24
    23   1     0.03  -0.16   0.17    -0.10   0.10  -0.33     0.02  -0.06   0.22
    24   1     0.10   0.01   0.02    -0.01   0.01   0.07     0.11   0.09  -0.02
    25   1     0.02   0.02  -0.02     0.24   0.11   0.15    -0.08   0.01  -0.10
    26   1     0.13   0.06   0.07     0.12   0.06   0.11    -0.13  -0.02  -0.13
                     16                     17                     18
                      A                      A                      A
 Frequencies --    677.5980               784.1203               809.7346
 Red. masses --      3.2757                 2.5695                 1.2012
 Frc consts  --      0.8861                 0.9308                 0.4640
 IR Inten    --      0.0523                 3.0092                13.7459
 RamAct Fr= 1--     17.7013                 6.3713                 0.6547
  Dep-P Fr= 1--      0.0104                 0.1644                 0.6325
  Dep-U Fr= 1--      0.0206                 0.2824                 0.7749
 Alpha2 Fr= 1--      0.3839                 0.0949                 0.0014
 Beta2  Fr= 1--      0.0609                 0.2999                 0.0845
 AlphaG Fr= 1--      0.0797                 0.0606                -0.0415
 Gamma2 Fr= 1--      0.6881                 2.4509                -2.3587
 Delta2 Fr= 1--      0.2579                -0.1740                -1.2530
 Raman1 Fr= 1--      70.805                 25.485                  2.619
 ROA1   Fr= 1--      74.312                229.716               -266.530
 CID1   Fr= 1--       1.050                  9.014               -101.780
 Raman2 Fr= 1--       0.731                  3.599                  1.015
 ROA2   Fr= 1--      14.451                 60.213                -46.584
 CID2   Fr= 1--      19.777                 16.731                -45.914
 Raman3 Fr= 1--       1.461                  7.198                  2.029
 ROA3   Fr= 1--      74.312                229.716               -266.530
 CID3   Fr= 1--      50.848                 31.915               -131.348
 RC180  Fr= 1--      -0.959                 -0.435                  0.550
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10   0.04  -0.04    -0.07  -0.06  -0.09     0.05   0.05  -0.05
     2   6    -0.03   0.25   0.07     0.01  -0.06  -0.07     0.02   0.04  -0.04
     3   6    -0.01  -0.07   0.06    -0.02  -0.04  -0.03     0.00   0.01   0.00
     4   6     0.11  -0.13  -0.00    -0.10   0.07   0.00     0.00  -0.01   0.02
     5   6     0.03  -0.04  -0.13     0.19   0.06  -0.01    -0.02  -0.02  -0.01
     6   6     0.01  -0.08   0.01    -0.01   0.02   0.01    -0.01   0.02   0.01
     7   6     0.09   0.12  -0.03    -0.01   0.08  -0.02    -0.02  -0.03   0.03
     8   6    -0.00   0.00  -0.02     0.07  -0.05   0.21    -0.01  -0.03  -0.00
     9   1    -0.10  -0.02   0.01    -0.17  -0.18   0.17    -0.23  -0.36   0.74
    10   1     0.01   0.32   0.24     0.07  -0.02   0.06    -0.16   0.16   0.13
    11   1    -0.06   0.06   0.10     0.09  -0.18  -0.02     0.10  -0.20   0.03
    12   1     0.16  -0.13  -0.08    -0.12   0.15  -0.02     0.05   0.02  -0.09
    13   1     0.01  -0.02  -0.05    -0.10   0.10  -0.01    -0.08   0.11  -0.04
    14   1     0.21  -0.18  -0.06    -0.04   0.05  -0.01     0.13  -0.08  -0.05
    15   1     0.06   0.03  -0.26     0.22   0.20  -0.27    -0.03  -0.04   0.03
    16   6     0.02  -0.04   0.15    -0.00   0.00   0.03    -0.01   0.01  -0.03
    17   6    -0.10  -0.05  -0.05    -0.02  -0.00  -0.02    -0.00   0.01   0.01
    18   1     0.03   0.03  -0.19     0.05   0.15  -0.20    -0.05  -0.06   0.09
    19   1    -0.20   0.01   0.19    -0.01  -0.43   0.41     0.08   0.06  -0.12
    20   1    -0.09  -0.09  -0.29    -0.19   0.05  -0.11     0.08  -0.04   0.14
    21   1     0.00   0.04   0.13     0.01  -0.02   0.01     0.00   0.00  -0.04
    22   1     0.03  -0.03   0.31     0.02  -0.01  -0.03     0.01   0.01  -0.06
    23   1     0.01   0.03   0.07     0.02  -0.04   0.08     0.01  -0.01   0.01
    24   1    -0.04  -0.01  -0.05    -0.07  -0.01  -0.01     0.02  -0.01  -0.00
    25   1    -0.12  -0.05  -0.09    -0.00   0.01  -0.00    -0.04  -0.03  -0.02
    26   1    -0.15  -0.06  -0.11    -0.04   0.00   0.00     0.05   0.01   0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --    829.6739               853.3449               900.6156
 Red. masses --      2.3046                 2.5309                 2.4746
 Frc consts  --      0.9347                 1.0859                 1.1826
 IR Inten    --      0.1607                 0.7871                 3.2586
 RamAct Fr= 1--      3.9936                 7.9720                 2.2862
  Dep-P Fr= 1--      0.7476                 0.4201                 0.5594
  Dep-U Fr= 1--      0.8556                 0.5917                 0.7175
 Alpha2 Fr= 1--      0.0002                 0.0549                 0.0083
 Beta2  Fr= 1--      0.5695                 0.7861                 0.2734
 AlphaG Fr= 1--     -0.0044                 0.0293                 0.0301
 Gamma2 Fr= 1--     -1.1884                -0.3244                -2.2300
 Delta2 Fr= 1--      0.4669                 0.3112                -0.4259
 Raman1 Fr= 1--      15.974                 31.888                  9.145
 ROA1   Fr= 1--     -99.150                -21.181               -227.705
 CID1   Fr= 1--      -6.207                 -0.664                -24.900
 Raman2 Fr= 1--       6.834                  9.434                  3.280
 ROA2   Fr= 1--     -32.258                -10.274                -50.112
 CID2   Fr= 1--      -4.720                 -1.089                -15.276
 Raman3 Fr= 1--      13.668                 18.867                  6.561
 ROA3   Fr= 1--     -99.150                -21.181               -227.705
 CID3   Fr= 1--      -7.254                 -1.123                -34.706
 RC180  Fr= 1--       0.711                  0.183                  0.435
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.05  -0.01    -0.05   0.04   0.01    -0.13   0.00  -0.11
     2   6    -0.06  -0.07   0.00    -0.03  -0.09  -0.13    -0.02  -0.07   0.02
     3   6     0.00   0.01   0.04     0.04   0.04   0.00     0.00  -0.01  -0.01
     4   6     0.02  -0.01   0.01     0.02   0.00   0.01     0.00  -0.01  -0.00
     5   6     0.03  -0.04  -0.14    -0.08  -0.09   0.08     0.00   0.10   0.15
     6   6    -0.08   0.14   0.04     0.03  -0.07  -0.01     0.07   0.01  -0.03
     7   6     0.13  -0.13   0.09     0.18   0.02  -0.08     0.07   0.01   0.11
     8   6     0.04  -0.01  -0.01    -0.06   0.13   0.13     0.09   0.05  -0.15
     9   1    -0.06   0.15  -0.04    -0.18   0.11   0.20    -0.30  -0.03   0.22
    10   1    -0.22  -0.14  -0.24    -0.06   0.00   0.05    -0.03  -0.15  -0.17
    11   1    -0.04   0.13  -0.03    -0.23  -0.26  -0.15     0.20   0.10   0.05
    12   1     0.09  -0.10  -0.04     0.09  -0.12  -0.02    -0.01   0.03  -0.01
    13   1    -0.09   0.03  -0.03    -0.05  -0.01  -0.01     0.02   0.00  -0.00
    14   1    -0.00  -0.03  -0.04    -0.09   0.02  -0.02     0.03  -0.02  -0.00
    15   1     0.06  -0.02  -0.19    -0.11  -0.11   0.12    -0.09  -0.02   0.39
    16   6    -0.03   0.04   0.02     0.01  -0.01  -0.03     0.03  -0.01   0.02
    17   6    -0.02   0.05   0.01     0.01  -0.01  -0.00    -0.06  -0.04  -0.06
    18   1     0.17  -0.09   0.08     0.28   0.15  -0.19     0.05  -0.01   0.31
    19   1    -0.17   0.13   0.18    -0.28   0.45   0.28    -0.10  -0.10   0.09
    20   1    -0.06   0.01  -0.16    -0.07   0.08   0.07     0.02  -0.08  -0.43
    21   1     0.05  -0.09  -0.03    -0.02   0.04  -0.02    -0.02  -0.01   0.13
    22   1     0.03   0.00  -0.28    -0.00   0.00   0.10    -0.03  -0.00   0.08
    23   1     0.05  -0.15   0.28    -0.02   0.06  -0.12    -0.02   0.03  -0.08
    24   1     0.06  -0.13  -0.03    -0.01   0.01   0.00    -0.26  -0.08  -0.04
    25   1    -0.24  -0.23  -0.11     0.05   0.03   0.03     0.07   0.04   0.08
    26   1     0.37   0.05   0.07    -0.06  -0.02  -0.02    -0.12  -0.03   0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --    922.5495               942.0762               955.2480
 Red. masses --      2.1860                 1.8985                 1.5453
 Frc consts  --      1.0962                 0.9927                 0.8308
 IR Inten    --      0.5143                 1.5823                 0.3783
 RamAct Fr= 1--      5.3440                 2.1912                 4.6242
  Dep-P Fr= 1--      0.1625                 0.7499                 0.6124
  Dep-U Fr= 1--      0.2796                 0.8571                 0.7596
 Alpha2 Fr= 1--      0.0800                 0.0000                 0.0117
 Beta2  Fr= 1--      0.2490                 0.3130                 0.5854
 AlphaG Fr= 1--     -0.0272                -0.0002                -0.0181
 Gamma2 Fr= 1--      0.2988                 1.9146                -0.6682
 Delta2 Fr= 1--      0.4313                -0.1419                 0.5093
 Raman1 Fr= 1--      21.376                  8.765                 18.497
 ROA1   Fr= 1--      42.487                179.257                -47.850
 CID1   Fr= 1--       1.988                 20.452                 -2.587
 Raman2 Fr= 1--       2.988                  3.756                  7.025
 ROA2   Fr= 1--       3.721                 47.085                -20.111
 CID2   Fr= 1--       1.245                 12.536                 -2.863
 Raman3 Fr= 1--       5.976                  7.512                 14.050
 ROA3   Fr= 1--      42.487                179.257                -47.850
 CID3   Fr= 1--       7.110                 23.863                 -3.406
 RC180  Fr= 1--      -0.441                  0.714                  0.519
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.05   0.00    -0.10   0.03  -0.01     0.00  -0.01   0.03
     2   6    -0.06  -0.04   0.02     0.06  -0.10  -0.03    -0.01   0.01  -0.04
     3   6    -0.03   0.02  -0.00     0.05   0.04   0.05    -0.01   0.00  -0.00
     4   6     0.03  -0.06  -0.02     0.04   0.04   0.04    -0.00  -0.02  -0.01
     5   6    -0.14   0.17  -0.02    -0.05  -0.00  -0.09    -0.03   0.06  -0.01
     6   6    -0.06  -0.08   0.02    -0.01  -0.02  -0.01     0.08   0.03   0.06
     7   6     0.03  -0.01   0.00    -0.05   0.12   0.06     0.03  -0.02   0.02
     8   6     0.08  -0.06   0.04    -0.01  -0.09  -0.01     0.01  -0.03   0.03
     9   1     0.01   0.00   0.16    -0.20   0.30  -0.02     0.04   0.06  -0.08
    10   1    -0.19  -0.10  -0.20     0.25  -0.11   0.05    -0.05   0.07   0.07
    11   1    -0.06   0.15  -0.02     0.24  -0.10   0.03    -0.10  -0.12  -0.04
    12   1    -0.07   0.13   0.02     0.25  -0.31  -0.07    -0.04   0.06   0.02
    13   1     0.18  -0.04   0.02    -0.24   0.05  -0.04     0.07  -0.02   0.01
    14   1     0.19  -0.08   0.04    -0.18   0.04  -0.09     0.05  -0.02   0.02
    15   1    -0.15   0.28  -0.24    -0.03   0.04  -0.19    -0.06   0.08  -0.06
    16   6    -0.02  -0.04  -0.05     0.01  -0.03  -0.01     0.09   0.05  -0.06
    17   6     0.09   0.02   0.05     0.01   0.01   0.02    -0.10  -0.05   0.03
    18   1     0.12   0.10  -0.19     0.04   0.24   0.19    -0.01  -0.06   0.10
    19   1    -0.06  -0.14   0.22     0.11   0.03  -0.18     0.04  -0.07   0.00
    20   1     0.07  -0.30  -0.24     0.20  -0.27   0.11     0.03  -0.06   0.04
    21   1    -0.02   0.13  -0.19    -0.03   0.06   0.01    -0.08  -0.14   0.46
    22   1     0.03  -0.00   0.23    -0.01  -0.00   0.17    -0.22   0.03  -0.28
    23   1     0.02   0.11  -0.11    -0.02   0.08  -0.13    -0.17   0.00  -0.40
    24   1     0.20   0.12   0.06     0.10   0.02   0.01     0.26   0.10  -0.00
    25   1     0.08   0.08  -0.01    -0.04  -0.02  -0.04    -0.30  -0.10  -0.24
    26   1    -0.02   0.01  -0.04     0.04   0.00  -0.01    -0.13  -0.07  -0.21
                     25                     26                     27
                      A                      A                      A
 Frequencies --    975.4039               976.4729              1023.2539
 Red. masses --      1.5663                 2.1247                 1.3869
 Frc consts  --      0.8780                 1.1936                 0.8556
 IR Inten    --      1.4656                 2.7724                 0.4239
 RamAct Fr= 1--      4.4908                 2.6477                 1.2443
  Dep-P Fr= 1--      0.4124                 0.7277                 0.6337
  Dep-U Fr= 1--      0.5840                 0.8424                 0.7758
 Alpha2 Fr= 1--      0.0318                 0.0010                 0.0026
 Beta2  Fr= 1--      0.4371                 0.3717                 0.1609
 AlphaG Fr= 1--     -0.0300                 0.0060                -0.0251
 Gamma2 Fr= 1--      2.2165                 0.1895                 0.2191
 Delta2 Fr= 1--      1.0546                -0.9780                -0.0828
 Raman1 Fr= 1--      17.963                 10.591                  4.977
 ROA1   Fr= 1--     246.534                -13.099                 18.384
 CID1   Fr= 1--      13.724                 -1.237                  3.694
 Raman2 Fr= 1--       5.245                  4.461                  1.931
 ROA2   Fr= 1--      44.760                 12.373                  5.921
 CID2   Fr= 1--       8.534                  2.774                  3.067
 Raman3 Fr= 1--      10.490                  8.921                  3.861
 ROA3   Fr= 1--     246.534                -13.099                 18.384
 CID3   Fr= 1--      23.502                 -1.468                  4.761
 RC180  Fr= 1--       0.168                  0.685                  0.552
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.02  -0.07    -0.12  -0.02  -0.03     0.04  -0.02  -0.02
     2   6    -0.03  -0.05   0.12     0.06   0.04   0.01    -0.03  -0.00   0.02
     3   6     0.02  -0.01   0.02    -0.00  -0.01  -0.01     0.02  -0.02   0.01
     4   6    -0.01   0.03   0.03     0.01   0.00  -0.00    -0.00   0.03  -0.01
     5   6     0.01  -0.07  -0.02     0.07   0.02   0.06     0.02  -0.04   0.03
     6   6     0.00  -0.00  -0.00    -0.09  -0.08   0.11    -0.02  -0.00  -0.00
     7   6    -0.06   0.04  -0.05     0.04  -0.04  -0.01    -0.03   0.02  -0.02
     8   6    -0.00   0.03  -0.00    -0.00   0.06  -0.08     0.02   0.04  -0.02
     9   1    -0.02  -0.13   0.20    -0.10  -0.03  -0.06     0.03  -0.11   0.07
    10   1     0.04  -0.24  -0.28     0.15   0.07   0.12     0.01  -0.03  -0.04
    11   1     0.18   0.37   0.09     0.11  -0.06   0.04    -0.01   0.07   0.01
    12   1     0.08  -0.09  -0.04     0.03  -0.06  -0.00     0.01  -0.04   0.03
    13   1    -0.15   0.08  -0.02    -0.03  -0.02  -0.01    -0.02  -0.04   0.01
    14   1    -0.07   0.01  -0.05    -0.05   0.02  -0.01    -0.12   0.08   0.01
    15   1    -0.02  -0.11   0.05     0.19   0.01   0.08     0.03  -0.07   0.07
    16   6     0.03   0.03   0.01    -0.07   0.02  -0.11     0.04  -0.09  -0.02
    17   6     0.01  -0.05   0.03     0.03  -0.02   0.12    -0.04   0.09   0.04
    18   1     0.00   0.12  -0.34     0.06  -0.02   0.01    -0.06  -0.03  -0.08
    19   1    -0.13   0.16   0.10     0.01  -0.04  -0.07    -0.01  -0.09   0.05
    20   1    -0.05   0.00  -0.12    -0.11   0.19  -0.10    -0.11   0.16  -0.11
    21   1    -0.01  -0.12   0.22     0.04   0.08  -0.38    -0.08   0.17   0.03
    22   1    -0.09   0.01  -0.22     0.08   0.01  -0.09    -0.04  -0.02   0.43
    23   1    -0.06  -0.07  -0.04     0.06  -0.01   0.09    -0.03   0.20  -0.35
    24   1     0.19   0.18   0.05     0.54   0.29   0.10     0.16  -0.14  -0.04
    25   1     0.02   0.11  -0.07    -0.15   0.03  -0.19    -0.34  -0.27  -0.15
    26   1    -0.26  -0.06  -0.16    -0.17  -0.06  -0.23     0.42   0.08   0.05
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1037.8759              1061.1462              1066.4346
 Red. masses --      1.4686                 2.2427                 1.5612
 Frc consts  --      0.9321                 1.4879                 1.0461
 IR Inten    --      4.0711                 1.1779                 0.4633
 RamAct Fr= 1--      3.5689                 6.1015                 1.2461
  Dep-P Fr= 1--      0.0861                 0.1650                 0.6087
  Dep-U Fr= 1--      0.1585                 0.2833                 0.7568
 Alpha2 Fr= 1--      0.0646                 0.0908                 0.0032
 Beta2  Fr= 1--      0.0943                 0.2881                 0.1572
 AlphaG Fr= 1--      0.0485                 0.0888                -0.0469
 Gamma2 Fr= 1--      0.9392                 0.6309                -1.0406
 Delta2 Fr= 1--      0.1463                -0.1124                 0.3670
 Raman1 Fr= 1--      14.276                 24.406                  4.984
 ROA1   Fr= 1--      94.842                 56.968                -88.160
 CID1   Fr= 1--       6.644                  2.334                -17.687
 Raman2 Fr= 1--       1.131                  3.457                  1.886
 ROA2   Fr= 1--      21.370                 16.041                -27.911
 CID2   Fr= 1--      18.893                  4.640                -14.799
 Raman3 Fr= 1--       2.262                  6.913                  3.772
 ROA3   Fr= 1--      94.842                 56.968                -88.160
 CID3   Fr= 1--      41.925                  8.240                -23.372
 RC180  Fr= 1--      -0.683                 -0.433                  0.514
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.06  -0.00     0.11  -0.05   0.06     0.01  -0.06   0.02
     2   6    -0.01  -0.05   0.02    -0.10   0.01  -0.11    -0.04   0.01   0.00
     3   6    -0.02   0.02  -0.01     0.03  -0.04   0.01     0.06   0.03  -0.12
     4   6    -0.06  -0.10  -0.04    -0.04   0.04  -0.02    -0.05  -0.02   0.14
     5   6     0.09  -0.03  -0.01     0.04  -0.11  -0.03     0.02   0.03   0.01
     6   6    -0.01  -0.00  -0.00    -0.01  -0.01   0.00     0.01   0.01   0.03
     7   6     0.01   0.07   0.01    -0.04   0.15   0.12     0.01   0.01   0.01
     8   6    -0.06  -0.03  -0.01     0.07   0.04  -0.05    -0.00  -0.01  -0.00
     9   1    -0.10   0.20   0.07     0.14  -0.03  -0.02     0.14  -0.04  -0.23
    10   1     0.07  -0.11  -0.08    -0.36   0.11   0.00    -0.08   0.00  -0.04
    11   1     0.01   0.10  -0.00    -0.21  -0.15  -0.10    -0.10   0.03  -0.02
    12   1    -0.29   0.39   0.02    -0.09   0.06   0.06     0.15   0.05  -0.26
    13   1     0.27   0.02   0.02     0.04  -0.05   0.02    -0.42   0.51  -0.09
    14   1     0.37  -0.16   0.09    -0.10   0.09   0.05     0.32  -0.31  -0.23
    15   1     0.37  -0.10   0.14     0.03  -0.14   0.01    -0.07  -0.03   0.12
    16   6     0.01  -0.02  -0.01    -0.03   0.00  -0.01    -0.01  -0.02  -0.02
    17   6    -0.01   0.01   0.01     0.01  -0.04   0.04    -0.01  -0.00  -0.00
    18   1     0.12   0.22   0.01    -0.02   0.20   0.44     0.02   0.02  -0.04
    19   1     0.01   0.22  -0.17    -0.09   0.05   0.12    -0.03   0.08  -0.01
    20   1     0.08  -0.04   0.21     0.10  -0.24  -0.34     0.04  -0.05   0.02
    21   1    -0.01   0.03   0.00     0.02   0.02  -0.13    -0.01   0.07  -0.08
    22   1    -0.00  -0.00   0.07     0.05  -0.00  -0.01     0.02  -0.01   0.10
    23   1    -0.00   0.04  -0.06     0.04  -0.02   0.11     0.01   0.05  -0.05
    24   1     0.05  -0.01  -0.00     0.16   0.14   0.05    -0.01  -0.01  -0.00
    25   1    -0.07  -0.05  -0.03     0.00   0.07  -0.05    -0.02  -0.02  -0.01
    26   1     0.05   0.01  -0.01    -0.18  -0.05  -0.11    -0.01  -0.00  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1086.6866              1111.3851              1129.0156
 Red. masses --      1.4705                 1.4141                 1.4185
 Frc consts  --      1.0231                 1.0291                 1.0653
 IR Inten    --      1.6984                 2.6691                 2.1166
 RamAct Fr= 1--      1.3478                 6.3767                 0.8558
  Dep-P Fr= 1--      0.4863                 0.3188                 0.7282
  Dep-U Fr= 1--      0.6544                 0.4835                 0.8427
 Alpha2 Fr= 1--      0.0071                 0.0618                 0.0003
 Beta2  Fr= 1--      0.1470                 0.5138                 0.1202
 AlphaG Fr= 1--      0.0271                -0.0522                -0.0043
 Gamma2 Fr= 1--     -0.7349                 0.9766                -0.9518
 Delta2 Fr= 1--     -1.1451                 0.8184                 0.1739
 Raman1 Fr= 1--       5.391                 25.507                  3.423
 ROA1   Fr= 1--    -107.192                119.944                -85.808
 CID1   Fr= 1--     -19.883                  4.702                -25.065
 Raman2 Fr= 1--       1.764                  6.166                  1.442
 ROA2   Fr= 1--      -8.476                 16.892                -24.235
 CID2   Fr= 1--      -4.805                  2.740                -16.801
 Raman3 Fr= 1--       3.528                 12.332                  2.885
 ROA3   Fr= 1--    -107.192                119.944                -85.808
 CID3   Fr= 1--     -30.384                  9.727                -29.744
 RC180  Fr= 1--       0.309                 -0.033                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.07     0.01  -0.07  -0.02    -0.02  -0.01   0.04
     2   6     0.06  -0.00  -0.05    -0.04   0.02  -0.02     0.03   0.02  -0.03
     3   6     0.03   0.04  -0.02     0.03  -0.05   0.04    -0.03   0.00   0.01
     4   6    -0.04  -0.04   0.00     0.00   0.05  -0.02     0.02   0.00  -0.02
     5   6    -0.05  -0.05  -0.01     0.04   0.11  -0.01     0.03   0.03  -0.08
     6   6    -0.01  -0.02  -0.03     0.03  -0.00   0.03    -0.05   0.07   0.01
     7   6    -0.10  -0.03   0.00     0.00  -0.01   0.01    -0.03  -0.04   0.06
     8   6     0.09   0.04   0.01    -0.04  -0.04  -0.00     0.03  -0.05  -0.01
     9   1    -0.10   0.34   0.01     0.03  -0.08  -0.05     0.04  -0.00  -0.08
    10   1     0.17   0.06   0.16     0.02   0.02   0.03    -0.32   0.11   0.01
    11   1     0.41  -0.20   0.09     0.12  -0.05   0.04     0.21  -0.14   0.05
    12   1    -0.10   0.17  -0.03    -0.01  -0.05   0.06     0.01  -0.04   0.03
    13   1     0.07   0.08  -0.00    -0.01  -0.08   0.01     0.04  -0.07   0.01
    14   1     0.19  -0.10   0.01    -0.16   0.12   0.03    -0.04   0.04   0.02
    15   1    -0.02  -0.08   0.05     0.22   0.03   0.16    -0.17  -0.20   0.39
    16   6    -0.00   0.01   0.02    -0.02  -0.00  -0.02     0.03  -0.04  -0.01
    17   6     0.01   0.02   0.01    -0.02   0.01  -0.01     0.03  -0.04  -0.01
    18   1    -0.28  -0.28  -0.20    -0.14  -0.22  -0.28     0.22   0.28  -0.34
    19   1    -0.20   0.12   0.29    -0.25   0.59   0.04    -0.05   0.08   0.03
    20   1    -0.04  -0.05  -0.31     0.25  -0.40   0.06    -0.16   0.30   0.09
    21   1     0.01  -0.04   0.04     0.01   0.03  -0.08    -0.05   0.08   0.07
    22   1     0.00   0.00  -0.06     0.03  -0.00   0.01    -0.05  -0.01   0.18
    23   1    -0.01  -0.04   0.05     0.02   0.01   0.03    -0.02   0.10  -0.18
    24   1     0.05  -0.01  -0.00    -0.03  -0.05  -0.02    -0.05   0.09   0.03
    25   1    -0.04  -0.03  -0.02    -0.04  -0.05   0.01     0.14   0.12   0.04
    26   1     0.07   0.02  -0.01     0.03   0.01   0.01    -0.16  -0.03  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1152.6812              1193.6617              1213.7031
 Red. masses --      1.5978                 1.6600                 1.7645
 Frc consts  --      1.2508                 1.3935                 1.5314
 IR Inten    --      3.7470                 1.4320                 1.8796
 RamAct Fr= 1--      7.1975                 8.3314                 7.1715
  Dep-P Fr= 1--      0.4993                 0.7230                 0.6364
  Dep-U Fr= 1--      0.6660                 0.8392                 0.7778
 Alpha2 Fr= 1--      0.0357                 0.0039                 0.0148
 Beta2  Fr= 1--      0.7989                 1.1653                 0.9297
 AlphaG Fr= 1--     -0.0114                -0.0192                -0.0017
 Gamma2 Fr= 1--     -1.9691                 1.9175                -0.8032
 Delta2 Fr= 1--     -0.1030                 0.7809                 0.1390
 Raman1 Fr= 1--      28.790                 33.326                 28.686
 ROA1   Fr= 1--    -192.331                209.069                -72.659
 CID1   Fr= 1--      -6.680                  6.273                 -2.533
 Raman2 Fr= 1--       9.587                 13.984                 11.156
 ROA2   Fr= 1--     -46.435                 39.773                -20.389
 CID2   Fr= 1--      -4.843                  2.844                 -1.828
 Raman3 Fr= 1--      19.175                 27.967                 22.312
 ROA3   Fr= 1--    -192.331                209.069                -72.659
 CID3   Fr= 1--     -10.030                  7.475                 -3.257
 RC180  Fr= 1--       0.332                  0.678                  0.556
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02   0.02    -0.02  -0.05   0.02    -0.01   0.00   0.02
     2   6     0.03  -0.00  -0.03    -0.02   0.06   0.01    -0.01  -0.01  -0.01
     3   6    -0.10   0.06  -0.04     0.15  -0.07   0.01    -0.03   0.01   0.01
     4   6     0.06  -0.03   0.02    -0.07   0.03  -0.01     0.01  -0.00  -0.00
     5   6     0.00  -0.01   0.07    -0.01  -0.03   0.07    -0.00   0.05  -0.05
     6   6    -0.08  -0.05  -0.07    -0.03  -0.05  -0.00     0.14  -0.13  -0.07
     7   6    -0.04  -0.01   0.01     0.03  -0.02   0.02    -0.01   0.03   0.02
     8   6    -0.00   0.03  -0.01    -0.06   0.02  -0.05    -0.02   0.01   0.03
     9   1     0.16  -0.31  -0.14    -0.12   0.24   0.03     0.06  -0.08  -0.05
    10   1    -0.29   0.06  -0.04    -0.37   0.11  -0.07    -0.22   0.01  -0.07
    11   1     0.11  -0.09   0.02     0.35  -0.03   0.13     0.16  -0.02   0.04
    12   1     0.17  -0.18  -0.05    -0.16   0.19   0.03     0.03  -0.04   0.01
    13   1    -0.02  -0.02  -0.00    -0.03   0.07  -0.01     0.01  -0.03   0.00
    14   1     0.02  -0.05  -0.05    -0.06   0.05   0.03     0.00   0.00   0.00
    15   1     0.59   0.08  -0.08    -0.13   0.22  -0.42    -0.25  -0.17   0.39
    16   6     0.05   0.03   0.03     0.02   0.02   0.00    -0.07   0.06   0.02
    17   6     0.03   0.04   0.00     0.01   0.02  -0.01    -0.05   0.06   0.04
    18   1     0.11   0.20  -0.01     0.22   0.23  -0.24     0.14   0.24  -0.21
    19   1    -0.05   0.06   0.03     0.08  -0.07  -0.18     0.13  -0.22  -0.06
    20   1     0.10  -0.18  -0.09     0.04  -0.04   0.04    -0.00   0.00   0.05
    21   1    -0.01  -0.10   0.25     0.00  -0.06   0.10     0.09  -0.14  -0.15
    22   1    -0.10   0.01  -0.13    -0.05   0.01  -0.10     0.13   0.01  -0.18
    23   1    -0.07  -0.07  -0.08    -0.04  -0.04  -0.05     0.04  -0.13   0.29
    24   1     0.02  -0.03  -0.01    -0.03  -0.05  -0.02     0.14  -0.13  -0.04
    25   1     0.03  -0.01   0.04     0.03  -0.02   0.05    -0.25  -0.18  -0.10
    26   1     0.15   0.04   0.05     0.10   0.03   0.06     0.21   0.03  -0.06
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1234.4480              1242.7799              1253.3456
 Red. masses --      1.7740                 2.5212                 1.7032
 Frc consts  --      1.5928                 2.2943                 1.5764
 IR Inten    --      3.0845                 1.3219                 4.5013
 RamAct Fr= 1--      4.2192                 1.7395                 7.2620
  Dep-P Fr= 1--      0.7418                 0.4224                 0.2014
  Dep-U Fr= 1--      0.8517                 0.5939                 0.3353
 Alpha2 Fr= 1--      0.0006                 0.0119                 0.0983
 Beta2  Fr= 1--      0.5990                 0.1722                 0.4058
 AlphaG Fr= 1--     -0.0041                -0.0287                 0.0049
 Gamma2 Fr= 1--      0.5616                -1.5516                 1.3925
 Delta2 Fr= 1--      0.7778                -0.3651                -1.1537
 Raman1 Fr= 1--      16.877                  6.958                 29.048
 ROA1   Fr= 1--      78.800               -160.639                 96.759
 CID1   Fr= 1--       4.669                -23.087                  3.331
 Raman2 Fr= 1--       7.187                  2.066                  4.869
 ROA2   Fr= 1--       7.255                -34.318                 42.649
 CID2   Fr= 1--       1.009                -16.608                  8.759
 Raman3 Fr= 1--      14.375                  4.133                  9.739
 ROA3   Fr= 1--      78.800               -160.639                 96.759
 CID3   Fr= 1--       5.482                -38.871                  9.936
 RC180  Fr= 1--       0.703                  0.188                 -0.329
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.02  -0.04     0.05   0.01   0.03     0.00  -0.03   0.01
     2   6    -0.04   0.03  -0.02    -0.05  -0.05  -0.03    -0.04  -0.01  -0.00
     3   6     0.06  -0.03   0.00    -0.10   0.03  -0.01     0.01   0.01  -0.01
     4   6    -0.02   0.02   0.01     0.03  -0.01   0.01     0.01   0.00   0.01
     5   6    -0.05   0.05  -0.01    -0.05  -0.06   0.02    -0.07   0.02   0.06
     6   6    -0.09  -0.13  -0.01     0.13  -0.02   0.25     0.04   0.04  -0.13
     7   6    -0.00   0.02   0.09    -0.02   0.07   0.05     0.06   0.07  -0.03
     8   6     0.06  -0.08  -0.04     0.04  -0.02  -0.08     0.03  -0.13  -0.01
     9   1    -0.05   0.05   0.06     0.04   0.02   0.02     0.01  -0.01  -0.02
    10   1     0.46   0.00   0.18     0.00  -0.05   0.00    -0.23   0.00  -0.09
    11   1    -0.39   0.04  -0.12     0.20  -0.02   0.04     0.28  -0.01   0.09
    12   1    -0.02   0.04  -0.00     0.09  -0.11  -0.01     0.02  -0.01  -0.01
    13   1    -0.05   0.05  -0.01     0.02  -0.06   0.01    -0.01   0.01   0.00
    14   1    -0.03   0.02  -0.00     0.02  -0.02  -0.02    -0.01   0.00  -0.01
    15   1     0.11  -0.05   0.18     0.31   0.13  -0.34     0.23   0.14  -0.16
    16   6     0.04   0.06   0.01    -0.04   0.02  -0.07    -0.03  -0.01   0.03
    17   6     0.03   0.04  -0.01    -0.03   0.00  -0.08    -0.01  -0.02   0.05
    18   1     0.08   0.14  -0.03    -0.01   0.06  -0.38    -0.14  -0.20   0.20
    19   1    -0.09   0.17   0.05    -0.00  -0.01  -0.04    -0.12   0.24   0.04
    20   1    -0.21   0.38   0.06    -0.17   0.35  -0.00    -0.27   0.52   0.24
    21   1     0.03  -0.14   0.17     0.03   0.05  -0.24     0.01  -0.02  -0.03
    22   1    -0.10   0.03  -0.23     0.07   0.00  -0.15     0.08  -0.01   0.09
    23   1    -0.09  -0.14  -0.02     0.01   0.07  -0.06     0.05  -0.01   0.14
    24   1    -0.02  -0.07  -0.02    -0.29  -0.15  -0.07     0.17   0.07   0.03
    25   1     0.07  -0.03   0.09     0.04  -0.09   0.11    -0.08   0.04  -0.10
    26   1     0.15   0.05   0.10    -0.02   0.02   0.14    -0.05  -0.04  -0.14
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1281.4980              1298.6113              1340.7720
 Red. masses --      1.4709                 1.9056                 1.6557
 Frc consts  --      1.4232                 1.8934                 1.7536
 IR Inten    --      0.2336                 2.6780                 1.1064
 RamAct Fr= 1--      0.2922                11.7322                 6.2820
  Dep-P Fr= 1--      0.5069                 0.4083                 0.7369
  Dep-U Fr= 1--      0.6728                 0.5798                 0.8485
 Alpha2 Fr= 1--      0.0014                 0.0843                 0.0014
 Beta2  Fr= 1--      0.0328                 1.1338                 0.8884
 AlphaG Fr= 1--     -0.0009                -0.0133                 0.0008
 Gamma2 Fr= 1--      0.1990                 1.5043                -0.1121
 Delta2 Fr= 1--      0.0958                 0.0987                -1.2266
 Raman1 Fr= 1--       1.169                 46.929                 25.128
 ROA1   Fr= 1--      22.174                147.569                -50.012
 CID1   Fr= 1--      18.972                  3.145                 -1.990
 Raman2 Fr= 1--       0.393                 13.606                 10.661
 ROA2   Fr= 1--       4.011                 35.313                  7.122
 CID2   Fr= 1--      10.202                  2.595                  0.668
 Raman3 Fr= 1--       0.786                 27.212                 21.322
 ROA3   Fr= 1--      22.174                147.569                -50.012
 CID3   Fr= 1--      28.201                  5.423                 -2.346
 RC180  Fr= 1--       0.346                  0.160                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.06   0.00    -0.00  -0.02   0.02     0.00  -0.04  -0.02
     2   6     0.05  -0.01   0.01    -0.01  -0.00   0.03     0.12   0.04   0.06
     3   6     0.03   0.03   0.03     0.01  -0.01   0.00     0.01  -0.07  -0.03
     4   6    -0.02  -0.02  -0.02    -0.00   0.01  -0.00     0.01   0.02   0.01
     5   6     0.05  -0.01   0.04     0.01   0.03  -0.07    -0.07   0.02  -0.02
     6   6     0.04  -0.03   0.03    -0.09  -0.10   0.12     0.08   0.03   0.02
     7   6    -0.09  -0.04  -0.06     0.05   0.07  -0.16    -0.09  -0.06  -0.06
     8   6     0.05  -0.06  -0.02     0.02  -0.01   0.04     0.04  -0.00   0.02
     9   1     0.17  -0.39  -0.13    -0.02   0.07  -0.01    -0.26   0.44   0.13
    10   1    -0.01   0.01   0.01    -0.33   0.01  -0.13    -0.32   0.09  -0.07
    11   1    -0.08   0.02  -0.03     0.37   0.05   0.13    -0.35   0.09  -0.08
    12   1    -0.06   0.06   0.01    -0.01  -0.00   0.01    -0.00   0.02   0.01
    13   1     0.07   0.01   0.00    -0.02  -0.01  -0.00    -0.10  -0.00  -0.01
    14   1     0.05  -0.00   0.05    -0.01   0.01   0.00    -0.08   0.02  -0.05
    15   1    -0.42   0.14  -0.26    -0.06  -0.16   0.30     0.43  -0.03   0.11
    16   6    -0.01   0.00  -0.01     0.03   0.03  -0.03    -0.02  -0.01   0.01
    17   6    -0.02   0.02  -0.01     0.03   0.04  -0.04    -0.02   0.00  -0.00
    18   1     0.14   0.30   0.27    -0.15  -0.17   0.56     0.14   0.28   0.18
    19   1    -0.24   0.43   0.15     0.02   0.02   0.04    -0.09   0.07   0.14
    20   1    -0.04   0.05  -0.04    -0.05   0.06   0.00    -0.01   0.00  -0.05
    21   1     0.01   0.00  -0.05     0.01  -0.03   0.06     0.02   0.04  -0.11
    22   1     0.03  -0.00  -0.03    -0.11   0.02  -0.11     0.06  -0.02  -0.03
    23   1     0.01   0.01   0.00    -0.08  -0.07  -0.11     0.02   0.06   0.00
    24   1    -0.02  -0.06  -0.02    -0.15  -0.09  -0.03    -0.02  -0.03  -0.01
    25   1    -0.04  -0.06   0.01     0.06  -0.09   0.11    -0.03  -0.01  -0.02
    26   1     0.05   0.02   0.01     0.02   0.05   0.14     0.00  -0.00  -0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1361.5675              1372.1529              1402.8340
 Red. masses --      1.8975                 1.6416                 1.2610
 Frc consts  --      2.0726                 1.8211                 1.4621
 IR Inten    --      2.8217                 1.3475                 9.2935
 RamAct Fr= 1--     12.5605                 2.2347                 0.1928
  Dep-P Fr= 1--      0.2415                 0.6856                 0.4835
  Dep-U Fr= 1--      0.3891                 0.8135                 0.6518
 Alpha2 Fr= 1--      0.1524                 0.0025                 0.0010
 Beta2  Fr= 1--      0.8145                 0.3030                 0.0209
 AlphaG Fr= 1--      0.0746                -0.0065                -0.0055
 Gamma2 Fr= 1--      2.0609                -0.8279                 0.0829
 Delta2 Fr= 1--      1.2185                -0.6243                -0.0123
 Raman1 Fr= 1--      50.242                  8.939                  0.771
 ROA1   Fr= 1--     236.840                -99.452                  7.566
 CID1   Fr= 1--       4.714                -11.126                  9.811
 Raman2 Fr= 1--       9.774                  3.636                  0.251
 ROA2   Fr= 1--      39.713                -14.875                  2.088
 CID2   Fr= 1--       4.063                 -4.091                  8.308
 Raman3 Fr= 1--      19.548                  7.272                  0.503
 ROA3   Fr= 1--     236.840                -99.452                  7.566
 CID3   Fr= 1--      12.116                -13.677                 15.052
 RC180  Fr= 1--      -0.222                  0.627                  0.304
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.00  -0.02    -0.08   0.03  -0.02     0.00  -0.00  -0.00
     2   6    -0.07   0.02  -0.01     0.14  -0.06   0.02    -0.00   0.01   0.00
     3   6     0.16   0.03   0.08     0.09   0.02   0.04     0.00  -0.00   0.00
     4   6    -0.04  -0.01  -0.02    -0.01  -0.03  -0.02    -0.01   0.01   0.00
     5   6    -0.15  -0.01  -0.07    -0.03  -0.01  -0.02    -0.01  -0.00  -0.01
     6   6     0.04   0.05   0.02    -0.02  -0.02   0.02     0.02   0.00   0.03
     7   6    -0.00  -0.05  -0.03     0.01   0.09   0.05    -0.01  -0.01  -0.01
     8   6     0.01   0.04   0.04    -0.00  -0.00  -0.01     0.00   0.00   0.01
     9   1     0.21  -0.48  -0.16     0.07  -0.26  -0.10    -0.01   0.02   0.00
    10   1     0.23  -0.03   0.04    -0.44  -0.01  -0.16     0.01  -0.01  -0.02
    11   1     0.23  -0.05   0.08    -0.43   0.01  -0.16     0.02  -0.01   0.01
    12   1    -0.10   0.10   0.01    -0.09   0.13   0.02     0.02  -0.04  -0.01
    13   1     0.08   0.11  -0.02     0.01   0.11  -0.04     0.03  -0.03   0.02
    14   1     0.02   0.05   0.13    -0.04   0.05   0.10     0.04  -0.02  -0.02
    15   1     0.49  -0.12   0.16     0.05  -0.03   0.02     0.04  -0.01   0.00
    16   6    -0.01  -0.02   0.01     0.00   0.01  -0.02    -0.01   0.02  -0.11
    17   6     0.00  -0.02  -0.01     0.01   0.00  -0.01    -0.08  -0.03  -0.03
    18   1     0.16   0.17   0.13    -0.32  -0.37  -0.32     0.03   0.04   0.03
    19   1     0.09  -0.22   0.02     0.07  -0.03  -0.09     0.03   0.02  -0.02
    20   1    -0.00  -0.03  -0.05    -0.06   0.05  -0.05    -0.04  -0.00  -0.07
    21   1     0.01   0.04  -0.08    -0.01  -0.03   0.05    -0.15  -0.14   0.36
    22   1     0.04  -0.01  -0.01    -0.02   0.02   0.03     0.00   0.07   0.42
    23   1     0.01   0.07  -0.04     0.01  -0.05   0.04     0.18  -0.20   0.37
    24   1    -0.04   0.03   0.01    -0.02  -0.01  -0.01     0.30   0.17  -0.04
    25   1     0.02   0.04  -0.02     0.02  -0.03   0.03     0.22   0.21   0.21
    26   1    -0.03  -0.01  -0.00    -0.03   0.01   0.04     0.35  -0.01   0.14
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1413.4226              1421.7239              1477.6208
 Red. masses --      1.2997                 1.2194                 1.0453
 Frc consts  --      1.5298                 1.4522                 1.3447
 IR Inten    --      2.8448                 6.8577                 7.7361
 RamAct Fr= 1--     10.6540                 0.0926                 6.3129
  Dep-P Fr= 1--      0.3775                 0.2867                 0.7247
  Dep-U Fr= 1--      0.5481                 0.4456                 0.8404
 Alpha2 Fr= 1--      0.0854                 0.0010                 0.0027
 Beta2  Fr= 1--      0.9732                 0.0069                 0.8842
 AlphaG Fr= 1--     -0.0027                -0.0009                -0.0346
 Gamma2 Fr= 1--      0.3641                -0.0038                -0.0973
 Delta2 Fr= 1--      0.2629                 0.0138                 0.1552
 Raman1 Fr= 1--      42.616                  0.370                 25.252
 ROA1   Fr= 1--      43.362                  0.081                 -4.371
 CID1   Fr= 1--       1.018                  0.218                 -0.173
 Raman2 Fr= 1--      11.678                  0.083                 10.610
 ROA2   Fr= 1--       6.635                 -0.200                 -3.576
 CID2   Fr= 1--       0.568                 -2.426                 -0.337
 Raman3 Fr= 1--      23.356                  0.165                 21.221
 ROA3   Fr= 1--      43.362                  0.081                 -4.371
 CID3   Fr= 1--       1.857                  0.489                 -0.206
 RC180  Fr= 1--       0.096                 -0.109                  0.681
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6     0.02  -0.00   0.01     0.01  -0.01   0.00    -0.00   0.00   0.00
     3   6     0.04  -0.01   0.01    -0.00  -0.00   0.00     0.00   0.01  -0.02
     4   6    -0.12   0.10   0.00     0.00  -0.00  -0.00     0.02   0.02  -0.05
     5   6    -0.01   0.00  -0.00     0.01   0.00  -0.00    -0.00  -0.00   0.01
     6   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   6     0.00   0.01   0.00     0.01   0.01  -0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.00    -0.00  -0.01   0.01     0.00   0.00   0.00
     9   1    -0.01  -0.02  -0.01     0.00  -0.01  -0.00    -0.00   0.00   0.01
    10   1    -0.06   0.01  -0.02    -0.04   0.00   0.00     0.01  -0.01  -0.02
    11   1    -0.06   0.01  -0.02    -0.00   0.02  -0.01    -0.01  -0.02   0.00
    12   1     0.21  -0.45  -0.12    -0.01  -0.00   0.01    -0.22  -0.30   0.61
    13   1     0.36  -0.40   0.22    -0.01  -0.00  -0.00    -0.46  -0.02  -0.14
    14   1     0.53  -0.21  -0.18     0.00   0.00   0.01     0.44   0.02   0.25
    15   1     0.01  -0.00   0.01    -0.04  -0.01   0.02     0.00   0.01  -0.01
    16   6    -0.00  -0.00   0.01     0.00  -0.02   0.09    -0.00   0.00  -0.00
    17   6     0.01   0.00   0.00    -0.09  -0.04  -0.03     0.00   0.00   0.00
    18   1    -0.02  -0.03  -0.02    -0.04  -0.05  -0.00     0.00   0.00   0.00
    19   1     0.01   0.00  -0.01     0.05   0.04  -0.06     0.00  -0.00  -0.00
    20   1    -0.01   0.00  -0.01    -0.05  -0.00  -0.07    -0.00   0.00  -0.00
    21   1     0.01   0.00  -0.03     0.12   0.11  -0.29    -0.00  -0.01   0.01
    22   1     0.01  -0.01  -0.04     0.03  -0.07  -0.35     0.01   0.00   0.01
    23   1    -0.02   0.03  -0.04    -0.13   0.20  -0.30     0.00   0.01  -0.00
    24   1    -0.02  -0.01   0.00     0.36   0.20  -0.04    -0.01   0.00   0.00
    25   1    -0.02  -0.02  -0.01     0.26   0.29   0.22    -0.01  -0.00  -0.01
    26   1    -0.03   0.00  -0.01     0.43  -0.02   0.12    -0.00   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1479.4212              1483.9079              1488.2273
 Red. masses --      1.0845                 1.0540                 1.0597
 Frc consts  --      1.3985                 1.3674                 1.3828
 IR Inten    --      3.6327                 3.4684                 4.3720
 RamAct Fr= 1--     26.4645                 1.2109                15.0837
  Dep-P Fr= 1--      0.5482                 0.5363                 0.4496
  Dep-U Fr= 1--      0.7082                 0.6981                 0.6203
 Alpha2 Fr= 1--      0.1022                 0.0050                 0.0926
 Beta2  Fr= 1--      3.1237                 0.1409                 1.5594
 AlphaG Fr= 1--      0.0876                -0.0084                -0.0714
 Gamma2 Fr= 1--     -6.3827                 1.1764                 3.2914
 Delta2 Fr= 1--     -4.9092                 0.3913                 2.3329
 Raman1 Fr= 1--     105.858                  4.844                 60.335
 ROA1   Fr= 1--    -769.834                125.457                390.632
 CID1   Fr= 1--      -7.272                 25.901                  6.474
 Raman2 Fr= 1--      37.484                  1.691                 18.713
 ROA2   Fr= 1--    -113.911                 25.103                 60.331
 CID2   Fr= 1--      -3.039                 14.847                  3.224
 Raman3 Fr= 1--      74.968                  3.382                 37.425
 ROA3   Fr= 1--    -769.834                125.457                390.632
 CID3   Fr= 1--     -10.269                 37.100                 10.438
 RC180  Fr= 1--       0.416                  0.396                  0.241
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.00     0.00  -0.01  -0.00     0.01  -0.03  -0.01
     2   6     0.00  -0.07  -0.03    -0.01   0.00  -0.00     0.00   0.01   0.01
     3   6     0.01  -0.01  -0.00    -0.00   0.00  -0.00    -0.02   0.01  -0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.04  -0.02  -0.02
     5   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.02    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.00   0.01  -0.02    -0.00  -0.01   0.02     0.00  -0.00  -0.01
     9   1     0.02  -0.04  -0.01    -0.01   0.01   0.00    -0.05   0.08   0.02
    10   1    -0.14   0.25   0.55     0.01   0.01   0.03    -0.01  -0.01  -0.05
    11   1     0.10   0.61  -0.11     0.01   0.02  -0.00    -0.03  -0.04   0.01
    12   1    -0.02  -0.00   0.03     0.01  -0.01  -0.01     0.19  -0.36  -0.13
    13   1    -0.03  -0.02  -0.00     0.01   0.03  -0.00     0.31   0.53  -0.05
    14   1     0.02  -0.01  -0.01    -0.01   0.01   0.02     0.06   0.25   0.54
    15   1     0.01  -0.00   0.01    -0.01   0.00   0.01    -0.03   0.01  -0.01
    16   6     0.01  -0.01  -0.01    -0.03  -0.03  -0.01     0.01  -0.01  -0.00
    17   6    -0.01   0.00   0.01     0.01   0.02  -0.03    -0.01   0.01   0.01
    18   1    -0.00  -0.02  -0.01     0.01  -0.00   0.01     0.01   0.01   0.01
    19   1    -0.07  -0.09   0.10     0.09   0.08  -0.12    -0.02  -0.01   0.02
    20   1     0.08  -0.00   0.12    -0.09  -0.01  -0.14     0.02   0.00   0.03
    21   1    -0.11   0.20   0.07    -0.18   0.03   0.30    -0.04   0.11  -0.00
    22   1    -0.13  -0.01  -0.09     0.34  -0.06  -0.23    -0.09  -0.00  -0.04
    23   1     0.11   0.04   0.12     0.28   0.46   0.06     0.03  -0.01   0.04
    24   1     0.02  -0.13  -0.03     0.24  -0.01  -0.06     0.03  -0.14  -0.03
    25   1     0.05   0.08   0.04     0.01  -0.35   0.25     0.05   0.05   0.05
    26   1     0.04  -0.02  -0.16    -0.27   0.04   0.20     0.02  -0.01  -0.14
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1493.6754              1500.4946              1514.7652
 Red. masses --      1.0496                 1.0785                 1.0686
 Frc consts  --      1.3798                 1.4307                 1.4446
 IR Inten    --      6.3682                 0.4811                 8.2523
 RamAct Fr= 1--      2.7559                 6.7082                 4.6451
  Dep-P Fr= 1--      0.6619                 0.7032                 0.7495
  Dep-U Fr= 1--      0.7965                 0.8257                 0.8568
 Alpha2 Fr= 1--      0.0043                 0.0055                 0.0000
 Beta2  Fr= 1--      0.3659                 0.9232                 0.6634
 AlphaG Fr= 1--     -0.0149                 0.0096                -0.0002
 Gamma2 Fr= 1--      0.7839                -1.1947                 0.2188
 Delta2 Fr= 1--      0.3893                 0.2881                -0.3783
 Raman1 Fr= 1--      11.024                 26.833                 18.581
 ROA1   Fr= 1--      87.707               -105.470                  8.894
 CID1   Fr= 1--       7.956                 -3.931                  0.479
 Raman2 Fr= 1--       4.390                 11.078                  7.960
 ROA2   Fr= 1--      15.698                -30.977                  8.277
 CID2   Fr= 1--       3.576                 -2.796                  1.040
 Raman3 Fr= 1--       8.781                 22.157                 15.921
 ROA3   Fr= 1--      87.707               -105.470                  8.894
 CID3   Fr= 1--       9.989                 -4.760                  0.559
 RC180  Fr= 1--       0.593                  0.651                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
     2   6     0.00  -0.02  -0.01     0.01   0.01   0.01     0.00  -0.00  -0.00
     3   6    -0.01  -0.00  -0.00     0.01   0.00   0.00     0.01  -0.00  -0.00
     4   6    -0.01  -0.01  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00   0.01     0.00  -0.00  -0.01     0.00  -0.01  -0.01
     6   6     0.01  -0.00  -0.01    -0.03  -0.03   0.02    -0.01   0.02  -0.00
     7   6    -0.00  -0.01  -0.00    -0.00   0.02  -0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.00   0.01     0.00   0.01  -0.04     0.00   0.02  -0.05
     9   1    -0.01   0.02   0.01     0.00  -0.01  -0.00     0.01  -0.01  -0.00
    10   1    -0.06   0.11   0.22     0.00  -0.04  -0.10    -0.01   0.01   0.01
    11   1     0.03   0.25  -0.05    -0.03  -0.10   0.01    -0.00   0.02  -0.01
    12   1     0.05  -0.10  -0.04    -0.00   0.02  -0.01     0.00  -0.01  -0.00
    13   1     0.08   0.15  -0.02     0.00  -0.01   0.00     0.01   0.02  -0.00
    14   1     0.01   0.07   0.15    -0.01  -0.00  -0.01     0.00   0.01   0.02
    15   1    -0.01   0.01   0.00    -0.02  -0.02   0.01     0.01  -0.01  -0.01
    16   6    -0.02   0.02   0.00    -0.03  -0.01  -0.01    -0.01   0.02   0.01
    17   6     0.02  -0.03  -0.02     0.00  -0.02   0.02    -0.02   0.02  -0.02
    18   1     0.01   0.01   0.00    -0.03  -0.02   0.00    -0.01  -0.01   0.00
    19   1     0.01   0.04  -0.02    -0.19  -0.17   0.24    -0.25  -0.24   0.32
    20   1    -0.02  -0.01  -0.03     0.18   0.02   0.29     0.24   0.01   0.37
    21   1     0.11  -0.28  -0.03    -0.09  -0.14   0.25     0.16  -0.29  -0.10
    22   1     0.21   0.01   0.11     0.39  -0.04  -0.14     0.15   0.02   0.17
    23   1    -0.10  -0.02  -0.11     0.17   0.36  -0.03    -0.18  -0.09  -0.16
    24   1    -0.17   0.50   0.12    -0.24   0.02   0.05     0.34  -0.08  -0.09
    25   1    -0.19  -0.08  -0.26     0.00   0.31  -0.23     0.10  -0.24   0.32
    26   1     0.04   0.04   0.46     0.27  -0.03  -0.15    -0.21   0.02   0.07
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1518.9781              1722.3592              3000.3474
 Red. masses --      1.0613                 6.5420                 1.0596
 Frc consts  --      1.4428                11.4342                 5.6199
 IR Inten    --      4.6538                 1.7235                45.9987
 RamAct Fr= 1--      4.3444                55.2288               211.2732
  Dep-P Fr= 1--      0.6286                 0.1262                 0.1604
  Dep-U Fr= 1--      0.7720                 0.2240                 0.2765
 Alpha2 Fr= 1--      0.0096                 0.9065                 3.1806
 Beta2  Fr= 1--      0.5590                 2.0623                 9.7353
 AlphaG Fr= 1--     -0.0148                -0.1073                 0.1850
 Gamma2 Fr= 1--     -1.2346                -0.9825                -4.3185
 Delta2 Fr= 1--      0.0057                -0.3699                -1.2035
 Raman1 Fr= 1--      17.377                220.915                845.093
 ROA1   Fr= 1--    -118.344               -106.161               -453.088
 CID1   Fr= 1--      -6.810                 -0.481                 -0.536
 Raman2 Fr= 1--       6.708                 24.747                116.823
 ROA2   Fr= 1--     -29.677                -20.622                -94.017
 CID2   Fr= 1--      -4.424                 -0.833                 -0.805
 Raman3 Fr= 1--      13.415                 49.494                233.647
 ROA3   Fr= 1--    -118.344               -106.161               -453.088
 CID3   Fr= 1--      -8.822                 -2.145                 -1.939
 RC180  Fr= 1--       0.544                 -0.552                 -0.447
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.05  -0.43  -0.19     0.00  -0.00   0.00
     2   6     0.00   0.01   0.01    -0.00   0.04   0.02     0.01  -0.06  -0.04
     3   6     0.00   0.00   0.00    -0.01   0.47   0.22     0.00   0.00   0.00
     4   6    -0.00   0.00   0.00     0.03  -0.05  -0.02     0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.01  -0.05  -0.02     0.00  -0.00  -0.00
     6   6     0.02  -0.02  -0.01    -0.00   0.00   0.01    -0.00   0.00  -0.00
     7   6    -0.00   0.01   0.00     0.00  -0.01  -0.01    -0.01   0.01  -0.00
     8   6     0.00   0.01  -0.04     0.00   0.01  -0.00     0.00   0.00  -0.00
     9   1     0.00  -0.00  -0.00    -0.36   0.23  -0.02    -0.03  -0.01  -0.02
    10   1     0.02  -0.06  -0.13    -0.17   0.10   0.07     0.14   0.54  -0.27
    11   1    -0.03  -0.14   0.02    -0.13   0.15  -0.04    -0.21   0.12   0.73
    12   1    -0.01   0.01   0.01    -0.09   0.17   0.05    -0.00  -0.00  -0.00
    13   1    -0.01  -0.02   0.00     0.05  -0.21   0.04    -0.00   0.00   0.00
    14   1     0.01  -0.01  -0.02     0.11  -0.13  -0.13     0.00   0.00  -0.00
    15   1    -0.01  -0.00   0.00    -0.27  -0.01  -0.11    -0.00   0.01   0.00
    16   6     0.02  -0.03   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    17   6     0.00  -0.01  -0.02    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    18   1    -0.01   0.01  -0.01     0.03   0.04   0.03     0.09  -0.07   0.00
    19   1    -0.17  -0.15   0.22    -0.02  -0.04   0.03     0.00  -0.00   0.00
    20   1     0.15   0.02   0.25     0.03  -0.00   0.03    -0.00  -0.00   0.00
    21   1    -0.16   0.46  -0.00     0.02  -0.01  -0.03    -0.02  -0.01  -0.01
    22   1    -0.37  -0.02  -0.19    -0.00   0.00  -0.00     0.00   0.02  -0.00
    23   1     0.14  -0.03   0.21    -0.02  -0.01  -0.02     0.02  -0.01  -0.01
    24   1     0.04   0.34   0.05     0.00  -0.01  -0.00     0.00   0.00  -0.00
    25   1    -0.10  -0.15  -0.06     0.01   0.01   0.01     0.00   0.00  -0.00
    26   1    -0.01   0.04   0.37     0.00  -0.00  -0.01    -0.00   0.00  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3008.6110              3017.9762              3021.8101
 Red. masses --      1.0378                 1.1009                 1.0401
 Frc consts  --      5.5349                 5.9080                 5.5957
 IR Inten    --     31.9145                24.2602                17.0159
 RamAct Fr= 1--    267.6843               136.3313                19.6158
  Dep-P Fr= 1--      0.0549                 0.6838                 0.4801
  Dep-U Fr= 1--      0.1041                 0.8122                 0.6487
 Alpha2 Fr= 1--      5.2263                 0.1589                 0.1060
 Beta2  Fr= 1--      4.6431                18.4543                 2.1209
 AlphaG Fr= 1--     -0.1042                 0.6344                -0.0062
 Gamma2 Fr= 1--     -1.7956                13.7760                -1.4473
 Delta2 Fr= 1--      2.1788                -1.4619                 1.2302
 Raman1 Fr= 1--    1070.737                545.325                 78.463
 ROA1   Fr= 1--    -102.654               1275.718                -99.577
 CID1   Fr= 1--      -0.096                  2.339                 -1.269
 Raman2 Fr= 1--      55.717                221.451                 25.451
 ROA2   Fr= 1--     -60.524                342.320                -44.577
 CID2   Fr= 1--      -1.086                  1.546                 -1.752
 Raman3 Fr= 1--     111.435                442.903                 50.901
 ROA3   Fr= 1--    -102.654               1275.718                -99.577
 CID3   Fr= 1--      -0.921                  2.880                 -1.956
 RC180  Fr= 1--      -0.792                  0.624                  0.297
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.03  -0.05   0.07    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.02  -0.05  -0.01    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     8   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.01   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    10   1     0.00  -0.00   0.00     0.16   0.69  -0.30     0.00   0.01  -0.00
    11   1     0.00  -0.00  -0.00     0.17  -0.12  -0.59     0.01  -0.01  -0.04
    12   1    -0.30  -0.14  -0.18     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   1    -0.15   0.12   0.60     0.00  -0.00  -0.00    -0.00   0.00   0.01
    14   1     0.19   0.57  -0.30     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1     0.00  -0.04  -0.02     0.00   0.00   0.00    -0.00  -0.00  -0.00
    16   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.02  -0.02   0.03
    17   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.03   0.02  -0.01
    18   1    -0.00   0.00   0.00     0.02  -0.01  -0.00    -0.01   0.00   0.00
    19   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.01
    20   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.01  -0.00   0.00
    21   1     0.00   0.00   0.00     0.02   0.01   0.01    -0.21  -0.08  -0.08
    22   1    -0.00  -0.01   0.00    -0.00  -0.02   0.00     0.02   0.53  -0.05
    23   1    -0.00   0.00   0.00    -0.03   0.02   0.02     0.40  -0.22  -0.26
    24   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02   0.05  -0.21
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.31   0.16   0.22
    26   1    -0.00  -0.01   0.00    -0.00  -0.01   0.00     0.00  -0.40   0.05
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3028.4016              3047.1656              3053.5525
 Red. masses --      1.0401                 1.0989                 1.0846
 Frc consts  --      5.6204                 6.0119                 5.9583
 IR Inten    --     61.0392                20.3318                62.6711
 RamAct Fr= 1--    309.2809               102.0583               181.1760
  Dep-P Fr= 1--      0.0342                 0.7419                 0.2961
  Dep-U Fr= 1--      0.0660                 0.8518                 0.4569
 Alpha2 Fr= 1--      6.3433                 0.0141                 1.8798
 Beta2  Fr= 1--      3.4045                14.4890                13.7978
 AlphaG Fr= 1--     -0.0548                -0.2824                 0.4694
 Gamma2 Fr= 1--      3.9468                -2.4602                11.5239
 Delta2 Fr= 1--      0.2649                -2.5291                 6.1781
 Raman1 Fr= 1--    1237.123                408.233                724.704
 ROA1   Fr= 1--     387.371               -317.115               1303.994
 CID1   Fr= 1--       0.313                 -0.777                  1.799
 Raman2 Fr= 1--      40.854                173.868                165.573
 ROA2   Fr= 1--      92.604                -38.812                227.148
 CID2   Fr= 1--       2.267                 -0.223                  1.372
 Raman3 Fr= 1--      81.707                347.735                331.147
 ROA3   Fr= 1--     387.371               -317.115               1303.994
 CID3   Fr= 1--       4.741                 -0.912                  3.938
 RC180  Fr= 1--      -0.868                  0.704                 -0.086
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.01   0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.03   0.04  -0.08    -0.00  -0.00   0.00
     5   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.07   0.05  -0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.01
     9   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.01   0.00   0.01
    10   1     0.00   0.02  -0.01     0.00   0.00  -0.00    -0.02  -0.08   0.04
    11   1     0.01  -0.01  -0.03     0.00  -0.00  -0.00     0.02  -0.01  -0.08
    12   1    -0.00  -0.00  -0.00    -0.01   0.00  -0.03     0.00   0.00   0.00
    13   1    -0.00   0.00   0.01    -0.16   0.17   0.68    -0.00   0.00   0.00
    14   1     0.00   0.00  -0.00    -0.19  -0.60   0.29     0.00   0.01  -0.00
    15   1    -0.00  -0.05  -0.02     0.00  -0.01  -0.00    -0.00  -0.01  -0.01
    16   6    -0.01  -0.02   0.03     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    17   6    -0.04  -0.02   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    18   1    -0.07   0.05  -0.00     0.00  -0.00   0.00     0.78  -0.56   0.02
    19   1    -0.02  -0.01  -0.02    -0.00  -0.00  -0.00    -0.11  -0.03  -0.09
    20   1     0.02   0.02  -0.01     0.00   0.00  -0.00     0.11   0.08  -0.06
    21   1    -0.16  -0.06  -0.07     0.01   0.00   0.00    -0.02  -0.01  -0.01
    22   1     0.02   0.41  -0.04     0.00   0.01  -0.00     0.00   0.03  -0.00
    23   1     0.31  -0.17  -0.20    -0.02   0.01   0.01     0.03  -0.02  -0.02
    24   1     0.03  -0.06   0.28    -0.00   0.00  -0.00     0.01  -0.01   0.03
    25   1     0.40  -0.21  -0.28    -0.00   0.00   0.00     0.00   0.00  -0.00
    26   1    -0.00   0.50  -0.06    -0.00  -0.00   0.00     0.00   0.06  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3064.3729              3069.4316              3074.6471
 Red. masses --      1.0818                 1.1008                 1.0691
 Frc consts  --      5.9850                 6.1105                 5.9546
 IR Inten    --     46.0989                 1.7060                32.9305
 RamAct Fr= 1--     80.5762                26.2568               252.2124
  Dep-P Fr= 1--      0.5739                 0.7486                 0.0181
  Dep-U Fr= 1--      0.7293                 0.8563                 0.0356
 Alpha2 Fr= 1--      0.2671                 0.0006                 5.3721
 Beta2  Fr= 1--      9.7941                 3.7471                 1.4956
 AlphaG Fr= 1--      0.0544                 0.0044                -1.3332
 Gamma2 Fr= 1--    -19.2614                 9.8677                -6.0355
 Delta2 Fr= 1--    -11.7506                 5.4538                -0.0249
 Raman1 Fr= 1--     322.305                105.027               1008.850
 ROA1   Fr= 1--   -2225.112               1121.821               -580.208
 CID1   Fr= 1--      -6.904                 10.681                 -0.575
 Raman2 Fr= 1--     117.529                 44.965                 17.947
 ROA2   Fr= 1--    -368.268                193.195               -144.653
 CID2   Fr= 1--      -3.133                  4.297                 -8.060
 Raman3 Fr= 1--     235.058                 89.930                 35.895
 ROA3   Fr= 1--   -2225.112               1121.821               -580.208
 CID3   Fr= 1--      -9.466                 12.474                -16.164
 RC180  Fr= 1--       0.459                  0.713                 -0.929
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.07  -0.04    -0.00   0.00   0.00    -0.00   0.03   0.01
     6   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01  -0.00
     8   6    -0.01  -0.01   0.02     0.00   0.00  -0.00    -0.02  -0.03   0.05
     9   1     0.01   0.00   0.01     0.00   0.00   0.00    -0.01  -0.00  -0.01
    10   1     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.01   0.02  -0.01
    11   1     0.00   0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.02
    12   1    -0.05  -0.02  -0.03    -0.00  -0.00  -0.00     0.01   0.00   0.01
    13   1    -0.01   0.00   0.02     0.00  -0.00  -0.01     0.00  -0.00  -0.01
    14   1     0.00   0.01  -0.01     0.00   0.01  -0.01    -0.00  -0.00   0.00
    15   1    -0.01   0.81   0.41     0.00  -0.05  -0.03     0.00  -0.33  -0.16
    16   6     0.00  -0.00   0.00     0.03  -0.07  -0.02     0.00  -0.00  -0.00
    17   6    -0.00   0.01  -0.00    -0.02   0.04   0.01     0.01  -0.00  -0.01
    18   1    -0.05   0.04  -0.00     0.03  -0.02   0.00    -0.15   0.11  -0.00
    19   1    -0.17  -0.05  -0.14     0.02   0.01   0.01    -0.31  -0.09  -0.27
    20   1     0.23   0.16  -0.13    -0.02  -0.02   0.01     0.58   0.41  -0.33
    21   1    -0.01  -0.01  -0.01     0.02  -0.02  -0.00     0.00  -0.00  -0.00
    22   1     0.00   0.04  -0.00     0.04   0.61  -0.07     0.00   0.03  -0.00
    23   1    -0.01   0.00   0.00    -0.47   0.24   0.32    -0.06   0.03   0.04
    24   1     0.01  -0.01   0.04    -0.01   0.01  -0.01     0.02  -0.02   0.09
    25   1     0.04  -0.02  -0.03     0.25  -0.12  -0.17    -0.11   0.05   0.07
    26   1     0.00  -0.06   0.01    -0.00  -0.33   0.05     0.00  -0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3077.0610              3098.7079              3109.9307
 Red. masses --      1.0999                 1.0989                 1.0998
 Frc consts  --      6.1357                 6.2171                 6.2672
 IR Inten    --     59.0396                24.4589                29.4901
 RamAct Fr= 1--    153.5830                94.1102                27.4937
  Dep-P Fr= 1--      0.7301                 0.6872                 0.6796
  Dep-U Fr= 1--      0.8440                 0.8146                 0.8092
 Alpha2 Fr= 1--      0.0524                 0.1038                 0.0341
 Beta2  Fr= 1--     21.6034                12.7771                 3.7082
 AlphaG Fr= 1--      0.0365                 0.1276                -0.0021
 Gamma2 Fr= 1--     -6.4070                 1.1137                -0.6221
 Delta2 Fr= 1--      0.7586                 0.8075                -1.6928
 Raman1 Fr= 1--     614.332                376.441                109.975
 ROA1   Fr= 1--    -590.793                132.757               -113.894
 CID1   Fr= 1--      -0.962                  0.353                 -1.036
 Raman2 Fr= 1--     259.240                153.325                 44.498
 ROA2   Fr= 1--    -159.836                 20.269                 -1.389
 CID2   Fr= 1--      -0.617                  0.132                 -0.031
 Raman3 Fr= 1--     518.480                306.650                 88.996
 ROA3   Fr= 1--    -590.793                132.757               -113.894
 CID3   Fr= 1--      -1.139                  0.433                 -1.280
 RC180  Fr= 1--       0.688                  0.629                  0.618
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00    -0.06  -0.05  -0.05     0.00   0.00   0.00
     5   6    -0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00   0.00  -0.01     0.00   0.00   0.00     0.04   0.02   0.01
     9   1     0.00   0.00   0.00    -0.03  -0.01  -0.01    -0.00  -0.00  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   1    -0.02  -0.01  -0.01     0.75   0.32   0.43    -0.01  -0.00  -0.00
    13   1     0.00  -0.00  -0.01    -0.08   0.05   0.25     0.00  -0.00  -0.00
    14   1     0.00   0.01  -0.00     0.06   0.21  -0.13    -0.00  -0.00   0.00
    15   1    -0.00   0.09   0.05     0.00   0.04   0.02    -0.00  -0.01  -0.01
    16   6     0.02  -0.04  -0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   6     0.04  -0.07  -0.02     0.00  -0.00  -0.00     0.00   0.03  -0.08
    18   1    -0.01   0.01  -0.00    -0.01   0.00   0.00    -0.01   0.01  -0.00
    19   1     0.03   0.01   0.03    -0.01  -0.00  -0.01    -0.21  -0.06  -0.20
    20   1    -0.07  -0.05   0.04    -0.00  -0.00   0.00    -0.22  -0.16   0.13
    21   1     0.01  -0.01  -0.00    -0.00  -0.00  -0.00     0.03   0.01   0.01
    22   1     0.02   0.33  -0.04     0.00   0.01  -0.00     0.00  -0.00   0.00
    23   1    -0.25   0.13   0.17    -0.01   0.00   0.00     0.00  -0.00  -0.00
    24   1     0.01  -0.02   0.00     0.00  -0.00   0.01     0.12  -0.17   0.82
    25   1    -0.46   0.22   0.32    -0.01   0.00   0.00    -0.17   0.09   0.10
    26   1     0.01   0.62  -0.08     0.00   0.00  -0.00     0.00  -0.23   0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3128.0291              3132.1987              3149.9978
 Red. masses --      1.0947                 1.1010                 1.0905
 Frc consts  --      6.3106                 6.3642                 6.3750
 IR Inten    --     13.1850                47.5982                24.9582
 RamAct Fr= 1--     51.8661               118.2596               173.9599
  Dep-P Fr= 1--      0.4925                 0.5084                 0.2589
  Dep-U Fr= 1--      0.6600                 0.6741                 0.4113
 Alpha2 Fr= 1--      0.2651                 0.5613                 2.0108
 Beta2  Fr= 1--      5.7050                13.2859                11.9251
 AlphaG Fr= 1--      0.3964                -0.0237                -0.1304
 Gamma2 Fr= 1--      5.4322                -2.1741                 1.4737
 Delta2 Fr= 1--     -0.2096                 2.1617                 1.4956
 Raman1 Fr= 1--     207.464                473.039                695.840
 ROA1   Fr= 1--     514.785               -139.541                189.335
 CID1   Fr= 1--       2.481                 -0.295                  0.272
 Raman2 Fr= 1--      68.459                159.431                143.102
 ROA2   Fr= 1--     132.050                -69.473                 23.405
 CID2   Fr= 1--       1.929                 -0.436                  0.164
 Raman3 Fr= 1--     136.919                318.862                286.203
 ROA3   Fr= 1--     514.785               -139.541                189.335
 CID3   Fr= 1--       3.760                 -0.438                  0.662
 RC180  Fr= 1--       0.320                  0.348                 -0.177
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.07  -0.03  -0.04
     2   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.01   0.00   0.00    -0.07  -0.03  -0.03     0.00   0.00   0.00
     9   1     0.01   0.00   0.00     0.02   0.01   0.01     0.83   0.31   0.45
    10   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.02  -0.01
    11   1    -0.00   0.00   0.01     0.00   0.00   0.00    -0.01   0.01   0.02
    12   1     0.00   0.00   0.00     0.01   0.00   0.00     0.03   0.01   0.02
    13   1    -0.00   0.00   0.00    -0.00   0.00   0.01     0.00  -0.00   0.00
    14   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.00  -0.00   0.00    -0.00   0.05   0.02    -0.00  -0.01  -0.01
    16   6    -0.08  -0.03  -0.02    -0.01  -0.00  -0.00     0.00   0.00   0.00
    17   6     0.00  -0.00   0.01    -0.00   0.01  -0.03     0.00  -0.00   0.00
    18   1    -0.00   0.00   0.00     0.04  -0.03  -0.00    -0.01   0.00  -0.00
    19   1    -0.06  -0.02  -0.05     0.59   0.17   0.53    -0.01  -0.00  -0.01
    20   1    -0.01  -0.01   0.01     0.29   0.21  -0.18    -0.00  -0.00   0.00
    21   1     0.82   0.30   0.37     0.08   0.03   0.04    -0.01  -0.00  -0.00
    22   1    -0.01   0.20  -0.03    -0.00   0.02  -0.00    -0.00  -0.00   0.00
    23   1     0.14  -0.09  -0.11     0.01  -0.01  -0.01    -0.00   0.00   0.00
    24   1    -0.01   0.01  -0.06     0.06  -0.08   0.37    -0.00   0.00  -0.00
    25   1     0.01  -0.01  -0.00    -0.06   0.03   0.04    -0.00   0.00   0.00
    26   1     0.00   0.02   0.00     0.00  -0.08   0.00    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Molecular mass:   136.12520 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   927.017381463.814421595.54340
           X            0.99999  -0.00503   0.00113
           Y            0.00502   0.99996   0.00796
           Z           -0.00117  -0.00796   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.09343     0.05917     0.05428
 Rotational constants (GHZ):           1.94683     1.23290     1.13111
 Zero-point vibrational energy     617927.4 (Joules/Mol)
                                  147.68819 (Kcal/Mol)
 Warning -- explicit consideration of  14 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    178.96   261.98   280.58   293.83   323.92
          (Kelvin)            380.22   441.87   484.58   562.48   571.34
                              619.28   672.20   704.53   832.13   905.18
                              974.91  1128.17  1165.03  1193.72  1227.77
                             1295.78  1327.34  1355.44  1374.39  1403.39
                             1404.93  1472.23  1493.27  1526.75  1534.36
                             1563.50  1599.04  1624.40  1658.45  1717.41
                             1746.25  1776.10  1788.08  1803.28  1843.79
                             1868.41  1929.07  1958.99  1974.22  2018.37
                             2033.60  2045.54  2125.97  2128.56  2135.01
                             2141.23  2149.07  2158.88  2179.41  2185.47
                             2478.09  4316.83  4328.72  4342.19  4347.71
                             4357.19  4384.19  4393.38  4408.95  4416.23
                             4423.73  4427.20  4458.35  4474.50  4500.54
                             4506.54  4532.14
 
 Zero-point correction=                           0.235356 (Hartree/Particle)
 Thermal correction to Energy=                    0.245170
 Thermal correction to Enthalpy=                  0.246114
 Thermal correction to Gibbs Free Energy=         0.201678
 Sum of electronic and zero-point Energies=           -390.613306
 Sum of electronic and thermal Energies=              -390.603492
 Sum of electronic and thermal Enthalpies=            -390.602548
 Sum of electronic and thermal Free Energies=         -390.646984
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  153.846             40.194             93.523
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.637
 Rotational               0.889              2.981             29.161
 Vibrational            152.069             34.232             23.725
 Vibration     1          0.610              1.929              3.031
 Vibration     2          0.630              1.864              2.307
 Vibration     3          0.636              1.847              2.180
 Vibration     4          0.640              1.834              2.095
 Vibration     5          0.650              1.803              1.917
 Vibration     6          0.671              1.738              1.633
 Vibration     7          0.697              1.660              1.378
 Vibration     8          0.718              1.602              1.227
 Vibration     9          0.759              1.490              0.997
 Vibration    10          0.764              1.476              0.973
 Vibration    11          0.792              1.404              0.857
 Vibration    12          0.824              1.323              0.745
 Vibration    13          0.846              1.273              0.684
 Vibration    14          0.935              1.078              0.488
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.171709D-92        -92.765208       -213.599785
 Total V=0       0.309734D+16         15.490989         35.669321
 Vib (Bot)       0.522208-106       -106.282156       -244.723709
 Vib (Bot)    1  0.164124D+01          0.215173          0.495455
 Vib (Bot)    2  0.110226D+01          0.042285          0.097365
 Vib (Bot)    3  0.102439D+01          0.010466          0.024099
 Vib (Bot)    4  0.974768D+00         -0.011099         -0.025556
 Vib (Bot)    5  0.876683D+00         -0.057158         -0.131610
 Vib (Bot)    6  0.733426D+00         -0.134644         -0.310028
 Vib (Bot)    7  0.616729D+00         -0.209906         -0.483325
 Vib (Bot)    8  0.552439D+00         -0.257716         -0.593413
 Vib (Bot)    9  0.458916D+00         -0.338267         -0.778889
 Vib (Bot)   10  0.449793D+00         -0.346987         -0.798967
 Vib (Bot)   11  0.404674D+00         -0.392894         -0.904673
 Vib (Bot)   12  0.361879D+00         -0.441436         -1.016445
 Vib (Bot)   13  0.338699D+00         -0.470186         -1.082644
 Vib (Bot)   14  0.263907D+00         -0.578549         -1.332159
 Vib (V=0)       0.941978D+02          1.974041          4.545396
 Vib (V=0)    1  0.221572D+01          0.345514          0.795576
 Vib (V=0)    2  0.171036D+01          0.233089          0.536707
 Vib (V=0)    3  0.163990D+01          0.214818          0.494637
 Vib (V=0)    4  0.159552D+01          0.202903          0.467202
 Vib (V=0)    5  0.150924D+01          0.178759          0.411609
 Vib (V=0)    6  0.138765D+01          0.142278          0.327608
 Vib (V=0)    7  0.129395D+01          0.111917          0.257699
 Vib (V=0)    8  0.124511D+01          0.095208          0.219224
 Vib (V=0)    9  0.117868D+01          0.071395          0.164393
 Vib (V=0)   10  0.117254D+01          0.069129          0.159175
 Vib (V=0)   11  0.114324D+01          0.058138          0.133869
 Vib (V=0)   12  0.111722D+01          0.048137          0.110841
 Vib (V=0)   13  0.110392D+01          0.042937          0.098866
 Vib (V=0)   14  0.106537D+01          0.027502          0.063325
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.624254D+08          7.795362         17.949484
 Rotational      0.526729D+06          5.721587         13.174441
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000020756    0.000016571   -0.000003148
      2        6           0.000002715   -0.000033736    0.000014781
      3        6          -0.000039220    0.000021345   -0.000006710
      4        6          -0.000000937    0.000001069   -0.000000928
      5        6           0.000081735    0.000008569    0.000036076
      6        6          -0.000020464    0.000016095   -0.000040666
      7        6          -0.000007164    0.000024953    0.000020334
      8        6          -0.000000954   -0.000032311   -0.000023921
      9        1          -0.000002528   -0.000001739   -0.000001447
     10        1           0.000002334   -0.000001214   -0.000000994
     11        1           0.000007878    0.000003379    0.000000668
     12        1           0.000002619   -0.000003657   -0.000003788
     13        1           0.000000185   -0.000001572   -0.000002097
     14        1          -0.000000453   -0.000003442   -0.000001043
     15        1          -0.000002661   -0.000000993    0.000001116
     16        6          -0.000008622    0.000000885   -0.000002009
     17        6           0.000009320    0.000005739   -0.000004485
     18        1           0.000000273    0.000000900    0.000004453
     19        1          -0.000007618   -0.000004873   -0.000015285
     20        1           0.000000492    0.000003088   -0.000002365
     21        1           0.000003390   -0.000026953    0.000019612
     22        1           0.000000131    0.000001526   -0.000002214
     23        1          -0.000000722    0.000000653    0.000005664
     24        1           0.000003820    0.000004735    0.000002413
     25        1          -0.000001258    0.000002318   -0.000001236
     26        1          -0.000001535   -0.000001338    0.000007220
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000081735 RMS     0.000015694
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.126564D+03 -0.650364D+00  0.428253D+00
      2  -0.650364D+00  0.122888D+03  0.482853D+01
      3   0.428253D+00  0.482853D+01  0.109974D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.216556D+00  0.290029D+01  0.532548D+01
      2   0.463234D+01  0.162299D+02 -0.366156D+01
      3   0.844516D+01 -0.245479D+02 -0.155051D+02
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.128958D+02 -0.412206D+02  0.814766D+00
      2   0.530143D+01  0.213293D+02  0.823861D+01
      3  -0.181972D+02  0.198913D+02 -0.905337D+01
      4  -0.413192D+02  0.371399D+02  0.278844D+02
      5   0.140612D+02  0.252199D+02 -0.204235D+02
      6   0.106095D+02  0.187952D+02  0.706764D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.371243D+01  0.247538D+00 -0.183344D+01  0.274965D+01 -0.902056D+00
      2   0.247538D+00 -0.808977D+00 -0.267119D+01 -0.902056D+00  0.170014D+02
      3  -0.183344D+01 -0.267119D+01 -0.218387D+01 -0.233661D+01  0.337681D+01
                 6             7             8             9            10 
      1  -0.233661D+01 -0.123779D+01 -0.327617D+01 -0.186410D+01  0.792149D+00
      2   0.337681D+01 -0.327617D+01  0.262631D+01  0.371650D+01  0.526890D+00
      3   0.349456D+01 -0.186410D+01  0.371650D+01  0.564040D+01  0.364026D+00
                11            12            13            14            15 
      1   0.526890D+00  0.364026D+00  0.162967D+01  0.389280D+00  0.229436D+01
      2   0.107482D+01  0.351583D+01  0.389280D+00 -0.123622D+02  0.273480D+00
      3   0.351583D+01  0.296726D+01  0.229436D+01  0.273480D+00 -0.133710D+01
                16            17            18            19            20 
      1   0.129982D+01  0.334383D+01  0.300503D+01  0.252606D+01 -0.267850D+01
      2   0.334383D+01  0.238642D+01 -0.416393D+01 -0.267850D+01  0.142943D+01
      3   0.300503D+01 -0.416393D+01 -0.600507D+01 -0.508847D+00  0.119021D+01
                21            22            23            24            25 
      1  -0.508847D+00 -0.313225D+01  0.155662D+01  0.157701D+01 -0.128306D+01
      2   0.119021D+01  0.155662D+01 -0.170405D+02 -0.446136D+01  0.648561D+00
      3   0.782607D+00  0.157701D+01 -0.446136D+01 -0.467431D+01  0.170583D+01
                26            27            28            29            30 
      1   0.648561D+00  0.170583D+01 -0.518165D+01 -0.368697D+00 -0.118629D+01
      2  -0.489755D+01 -0.399392D+01 -0.368697D+00 -0.585542D+00 -0.295330D+01
      3  -0.399392D+01 -0.465529D+01 -0.118629D+01 -0.295330D+01 -0.269700D+01
                31            32            33            34            35 
      1  -0.248701D+01 -0.294422D+01 -0.290545D+01 -0.150476D+01 -0.301606D+01
      2  -0.294422D+01  0.106610D+02 -0.264820D+00 -0.301606D+01 -0.684155D+00
      3  -0.290545D+01 -0.264820D+00  0.177170D+01 -0.471247D+01  0.425848D+01
                36            37            38            39            40 
      1  -0.471247D+01  0.528475D+01  0.186314D+01 -0.299455D+01 -0.251081D+01
      2   0.425848D+01  0.186314D+01  0.116715D+01 -0.107752D+01 -0.169241D+00
      3   0.505583D+01 -0.299455D+01 -0.107752D+01  0.424829D+01 -0.207618D+01
                41            42            43            44            45 
      1  -0.169241D+00 -0.207618D+01 -0.691494D+01 -0.116148D+01  0.260721D+01
      2   0.452459D+01  0.441223D+01 -0.116148D+01  0.365058D+01  0.329442D+00
      3   0.441223D+01 -0.200788D+01  0.260721D+01  0.329442D+00  0.335025D+00
                46            47            48            49            50 
      1  -0.456661D+01  0.173985D+01  0.562524D+01  0.394551D+01 -0.185545D+01
      2   0.173985D+01 -0.178332D+01  0.674980D+00 -0.185545D+01 -0.899457D+01
      3   0.562524D+01  0.674980D+00 -0.213890D+01  0.134652D+01  0.170179D+01
                51            52            53            54            55 
      1   0.134652D+01  0.904139D+01  0.103782D+01 -0.164032D+01  0.326096D+01
      2   0.170179D+01  0.103782D+01  0.311070D+01  0.191092D+01 -0.443848D+01
      3   0.119507D+01 -0.164032D+01  0.191092D+01 -0.302552D+01 -0.158681D+01
                56            57            58            59            60 
      1  -0.443848D+01 -0.158681D+01 -0.379314D+01  0.532915D+01 -0.197422D+01
      2   0.485821D+01 -0.150850D+01  0.532915D+01  0.401933D+01 -0.284639D+01
      3  -0.150850D+01 -0.167460D+01 -0.197422D+01 -0.284639D+01  0.368416D+01
                61            62            63            64            65 
      1  -0.190502D+01 -0.196900D+01 -0.175977D+01  0.452905D+00 -0.113733D+01
      2  -0.196900D+01 -0.376496D+01  0.162540D+01 -0.113733D+01 -0.254626D+01
      3  -0.175977D+01  0.162540D+01  0.361701D+01  0.393625D+01  0.421781D+01
                66            67            68            69            70 
      1   0.393625D+01  0.809985D+00 -0.203263D+01  0.492660D+01  0.310834D+01
      2   0.421781D+01 -0.203263D+01  0.138658D+01 -0.100593D+01  0.313558D+01
      3   0.747476D+00  0.492660D+01 -0.100593D+01 -0.902774D+00  0.113960D+01
                71            72            73            74            75 
      1   0.313558D+01  0.113960D+01  0.815791D+01  0.271662D+01  0.352161D+01
      2  -0.898702D+00 -0.162734D+01  0.271662D+01  0.124853D+01  0.141648D+01
      3  -0.162734D+01 -0.438187D+00  0.352161D+01  0.141648D+01  0.233200D+01
                76            77            78            79            80 
      1   0.206333D+01  0.141165D+01  0.101349D+01  0.347567D+01  0.175748D+01
      2   0.141165D+01  0.211345D+01  0.156270D+01  0.175748D+01  0.206545D+01
      3   0.101349D+01  0.156270D+01  0.134933D+01  0.235960D+01  0.879496D+00
                81            82            83            84            85 
      1   0.235960D+01  0.927934D+00  0.141049D+01 -0.361099D+00  0.134542D+01
      2   0.879496D+00  0.141049D+01  0.219375D+01 -0.267763D+00  0.111382D+01
      3   0.135260D+01 -0.361099D+00 -0.267763D+00 -0.146207D+00 -0.291264D+00
                86            87            88            89            90 
      1   0.111382D+01 -0.291264D+00 -0.786841D+00 -0.785882D+00 -0.146171D+00
      2   0.141387D+02 -0.879154D+00 -0.785882D+00 -0.397107D+01  0.220938D+01
      3  -0.879154D+00  0.895893D+00 -0.146171D+00  0.220938D+01  0.838525D-02
                91            92            93            94            95 
      1  -0.127655D+01  0.771329D+00  0.146035D+01  0.188561D+00 -0.779724D+00
      2   0.771329D+00 -0.826950D+00 -0.130084D+01 -0.779724D+00  0.376247D+01
      3   0.146035D+01 -0.130084D+01 -0.192911D+01 -0.581311D+00  0.215259D+01
                96            97            98            99           100 
      1  -0.581311D+00  0.163957D+01 -0.160096D+01 -0.187092D+01  0.914389D+01
      2   0.215259D+01 -0.160096D+01  0.377794D+01  0.471004D+01 -0.164872D+00
      3   0.177654D+01 -0.187092D+01  0.471004D+01  0.850524D+01  0.219015D+01
               101           102           103           104           105 
      1  -0.164872D+00  0.219015D+01  0.322823D+01  0.576693D+00  0.707832D+00
      2   0.836217D+00  0.114290D+00  0.576693D+00  0.332044D+00  0.462273D+00
      3   0.114290D+00  0.156906D+01  0.707832D+00  0.462273D+00  0.482745D+00
               106           107           108           109           110 
      1   0.399057D+01 -0.221621D+00  0.225521D+01  0.243838D+01 -0.987248D+00
      2  -0.221621D+00  0.800486D+00 -0.212740D+00 -0.987248D+00  0.374632D+00
      3   0.225521D+01 -0.212740D+00  0.115112D+01 -0.166145D+01  0.101739D+01
               111           112           113           114           115 
      1  -0.166145D+01 -0.859395D+00  0.187651D+01  0.111662D+01 -0.381166D+01
      2   0.101739D+01  0.187651D+01 -0.338942D+01 -0.160239D+01  0.319549D+01
      3   0.174239D+01  0.111662D+01 -0.160239D+01 -0.167811D+01  0.381982D+01
               116           117           118           119           120 
      1   0.319549D+01  0.381982D+01 -0.334352D+00 -0.404155D+00  0.508117D+00
      2  -0.339963D+01 -0.389374D+01 -0.404155D+00 -0.212591D+01  0.479322D+00
      3  -0.389374D+01 -0.754680D+01  0.508117D+00  0.479322D+00 -0.988165D-01
               121           122           123           124           125 
      1  -0.201714D+01  0.214038D+01  0.328599D+00  0.962023D+00 -0.180163D+00
      2   0.214038D+01 -0.108728D+02  0.183311D+01 -0.180163D+00  0.332557D+01
      3   0.328599D+00  0.183311D+01 -0.141418D+01  0.799043D+00 -0.241044D+01
               126           127           128           129           130 
      1   0.799043D+00  0.330678D+00 -0.981384D+00 -0.552070D-01 -0.159990D+01
      2  -0.241044D+01 -0.981384D+00 -0.486541D+00  0.725694D-01  0.803101D+00
      3   0.501980D+00 -0.552070D-01  0.725694D-01 -0.236926D+00  0.415112D+00
               131           132           133           134           135 
      1   0.803101D+00  0.415112D+00  0.434404D-01  0.516281D+00  0.101176D+00
      2  -0.792431D+01 -0.346712D+01  0.516281D+00 -0.289869D+01 -0.222884D+01
      3  -0.346712D+01 -0.222259D+01  0.101176D+00 -0.222884D+01 -0.221470D+01
               136           137           138           139           140 
      1  -0.635374D+00 -0.245248D+01 -0.481264D+01 -0.340443D+01  0.102516D+01
      2  -0.245248D+01  0.571343D+00  0.182720D+00  0.102516D+01  0.691093D+01
      3  -0.481264D+01  0.182720D+00  0.139852D+01  0.344805D+00 -0.288045D+01
               141           142           143           144           145 
      1   0.344805D+00 -0.480456D+01  0.168560D+00  0.163060D+01  0.203977D+01
      2  -0.288045D+01  0.168560D+00 -0.147188D+01 -0.201961D+01 -0.307134D+01
      3  -0.204805D+01  0.163060D+01 -0.201961D+01  0.222381D+01 -0.423995D+01
               146           147           148           149           150 
      1  -0.307134D+01 -0.423995D+01 -0.494925D+01  0.184135D+01 -0.384405D+00
      2   0.487125D-01 -0.286452D+00  0.184135D+01  0.787140D+01 -0.101084D+01
      3  -0.286452D+00  0.134034D+01 -0.384405D+00 -0.101084D+01 -0.213014D+01
               151           152           153           154           155 
      1  -0.570396D+01 -0.207351D+00  0.230781D+01 -0.710863D+01  0.468333D+01
      2  -0.207351D+00 -0.148226D+01 -0.160173D+01  0.468333D+01 -0.432918D+01
      3   0.230781D+01 -0.160173D+01  0.471673D+01  0.761596D-01  0.274027D+00
               156           157           158           159           160 
      1   0.761596D-01  0.333494D+01 -0.360687D+01  0.412438D+00  0.323841D+00
      2   0.274027D+00 -0.360687D+01  0.434524D+01  0.686641D-01  0.306204D+00
      3  -0.671594D+00  0.412438D+00  0.686641D-01  0.347822D+00 -0.939179D+00
               161           162           163           164           165 
      1   0.306204D+00 -0.939179D+00 -0.412271D+01 -0.360126D+00 -0.341545D+01
      2   0.264198D+00  0.926062D+00 -0.360126D+00 -0.528660D+00 -0.154309D+00
      3   0.926062D+00 -0.197400D+00 -0.341545D+01 -0.154309D+00 -0.431443D+01
               166           167           168           169           170 
      1  -0.971208D+00 -0.656977D+00 -0.706141D+00 -0.272227D+01 -0.233771D+00
      2  -0.656977D+00 -0.423973D+00 -0.714216D+00 -0.233771D+00 -0.476072D+00
      3  -0.706141D+00 -0.714216D+00 -0.715147D+00 -0.352038D+01 -0.289354D-01
               171           172           173           174           175 
      1  -0.352038D+01  0.316381D+01  0.169945D+01 -0.285652D+01  0.121200D+01
      2  -0.289354D-01  0.169945D+01  0.196168D+01 -0.223452D+01  0.147169D+01
      3  -0.650831D+01 -0.285652D+01 -0.223452D+01  0.357125D+01 -0.170092D+01
               176           177           178           179           180 
      1   0.147169D+01 -0.170092D+01 -0.135276D+01 -0.942577D+00  0.155776D+01
      2   0.243226D+01 -0.206937D+01 -0.942577D+00 -0.110361D+01  0.179884D+01
      3  -0.206937D+01  0.265105D+01  0.155776D+01  0.179884D+01 -0.417573D+01
               181           182           183           184           185 
      1   0.462510D+01  0.105561D+01  0.152842D+01  0.162034D+01  0.588201D+00
      2   0.105561D+01  0.926726D+00 -0.257077D+00  0.588201D+00 -0.180055D+00
      3   0.152842D+01 -0.257077D+00  0.309207D+01 -0.200810D-01  0.593714D+00
               186           187           188           189           190 
      1  -0.200810D-01  0.182353D+01  0.880861D-01  0.159688D+01 -0.403715D+00
      2   0.593714D+00  0.880861D-01  0.615407D+00  0.556153D+00 -0.842432D+00
      3   0.133570D+01  0.159688D+01  0.556153D+00  0.221948D+01  0.953167D+00
               191           192           193           194           195 
      1  -0.842432D+00  0.953167D+00 -0.103421D+01 -0.113986D+01  0.440270D+00
      2  -0.427681D+00  0.157422D+00 -0.113986D+01 -0.854397D+01  0.349163D+01
      3   0.157422D+00 -0.494559D+00  0.440270D+00  0.349163D+01 -0.275319D+01
               196           197           198           199           200 
      1   0.375429D+00  0.618599D-01 -0.333122D+00 -0.479511D+01  0.838191D+00
      2   0.618599D-01  0.100384D+01 -0.118863D+01  0.838191D+00 -0.105551D+01
      3  -0.333122D+00 -0.118863D+01  0.103300D+01  0.384127D+01 -0.358948D+00
               201           202           203           204           205 
      1   0.384127D+01  0.200209D+01 -0.106133D+01 -0.133860D+01  0.245004D+01
      2  -0.358948D+00 -0.106133D+01  0.207668D+00  0.121558D+01 -0.446104D+00
      3  -0.419025D+01 -0.133860D+01  0.121558D+01  0.211742D+01 -0.273850D+01
               206           207           208           209           210 
      1  -0.446104D+00 -0.273850D+01 -0.118219D+01  0.481485D+00 -0.111273D+01
      2   0.720789D+00  0.676769D+00  0.481485D+00 -0.521550D-01 -0.121907D-01
      3   0.676769D+00  0.400251D+01 -0.111273D+01 -0.121907D-01 -0.150199D+01
               211           212           213           214           215 
      1   0.118296D+01 -0.337150D+00  0.158001D+00 -0.235070D+01 -0.506518D+00
      2  -0.337150D+00 -0.363810D+00 -0.745923D+00 -0.506518D+00 -0.108002D+01
      3   0.158001D+00 -0.745923D+00  0.829291D+00 -0.252288D+01  0.282686D+00
               216           217           218           219           220 
      1  -0.252288D+01 -0.886156D+01  0.635563D+00  0.225677D+01  0.381094D+01
      2   0.282686D+00  0.635563D+00 -0.945774D+00 -0.294649D+00 -0.139681D+01
      3  -0.680469D+01  0.225677D+01 -0.294649D+00 -0.147111D+01 -0.638634D+00
               221           222           223           224           225 
      1  -0.139681D+01 -0.638634D+00  0.490837D+01 -0.607207D-01 -0.216208D+01
      2   0.507946D-01  0.556146D+00 -0.607207D-01  0.905384D+00  0.403551D+00
      3   0.556146D+00  0.902739D+00 -0.216208D+01  0.403551D+00  0.134707D+01
               226           227           228           229           230 
      1  -0.963426D+00 -0.782434D+00  0.363452D+00 -0.236489D+01 -0.324129D+01
      2  -0.782434D+00 -0.188741D+00  0.642086D-01 -0.324129D+01 -0.966226D+01
      3   0.363452D+00  0.642086D-01 -0.418857D-01 -0.127851D+00  0.247232D+00
               231           232           233           234 
      1  -0.127851D+00  0.936296D+00  0.348634D+00 -0.675694D+00
      2   0.247232D+00  0.348634D+00  0.875542D+00 -0.913863D+00
      3  -0.950532D+00 -0.675694D+00 -0.913863D+00 -0.138498D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.146541D+01  0.123086D+01  0.131798D+00  0.281323D+01  0.102033D+02
      2   0.195146D+01 -0.200940D+01 -0.214612D+01  0.603031D+00  0.957432D+01
      3  -0.279674D+01 -0.507223D+01  0.180529D+01  0.162743D+01 -0.460955D+02
                 6             7             8             9            10 
      1  -0.136317D+01  0.134351D+01  0.502341D+01  0.225475D+00 -0.664286D+00
      2   0.121271D+02 -0.947187D+01  0.144478D+02  0.166474D+02 -0.822055D+00
      3  -0.133696D+02  0.144470D+01 -0.110324D+02 -0.144912D+02  0.406151D+01
                11            12            13            14            15 
      1  -0.765542D+01 -0.420404D+01 -0.365588D+01 -0.182717D+02  0.230325D+00
      2   0.275521D+01  0.228552D+01  0.160232D+00 -0.520005D+01 -0.176516D+01
      3  -0.534566D+01 -0.352701D+01  0.420045D+01  0.961101D+01  0.663506D+01
                16            17            18            19            20 
      1  -0.643430D+01  0.187532D+02  0.146552D+02 -0.154217D+01 -0.211532D+01
      2  -0.565197D+00 -0.247316D+01 -0.539307D+01 -0.158179D+01  0.616761D+01
      3  -0.142250D+01  0.110277D+02  0.116130D+02  0.105463D+02 -0.712617D+01
                21            22            23            24            25 
      1  -0.205533D+00 -0.216372D+01 -0.126900D+02 -0.292227D+01 -0.272335D+01
      2   0.153143D+01  0.445780D+01 -0.110901D+02 -0.135419D+02 -0.573826D+01
      3  -0.453151D+01  0.286310D+01  0.454019D+02  0.146320D+02 -0.309381D+01
                26            27            28            29            30 
      1   0.479550D+01  0.262685D+01 -0.117705D+01 -0.636788D+01 -0.527008D+01
      2  -0.110844D+02 -0.176345D+02 -0.549075D+01 -0.964632D+01 -0.634021D+01
      3   0.150812D+02  0.115900D+02  0.115800D+02 -0.177429D+01  0.108413D+02
                31            32            33            34            35 
      1  -0.313381D+01 -0.728374D+01  0.273560D+01 -0.118607D+02  0.154705D+02
      2  -0.909485D+01 -0.274868D+01  0.435598D+01 -0.175608D+02  0.148431D+02
      3   0.152246D+02 -0.324500D+02  0.580243D+01  0.110282D+02  0.108935D+02
                36            37            38            39            40 
      1   0.104810D+02 -0.122075D+01  0.560367D+00  0.577725D+01 -0.487318D+01
      2   0.155348D+02  0.990357D+01  0.296862D+01  0.317525D+01 -0.354744D+01
      3  -0.443832D+01 -0.153121D+02 -0.797437D+01 -0.106730D+01  0.815740D+01
                41            42            43            44            45 
      1   0.129807D+01 -0.120189D+02  0.874073D+01 -0.238099D+00  0.546294D+01
      2   0.244886D+01 -0.563973D+01 -0.105510D+02 -0.451690D+01  0.486276D+01
      3   0.312961D+01  0.339771D+01  0.583939D+01 -0.397462D+00 -0.677736D+01
                46            47            48            49            50 
      1   0.497667D+01 -0.664047D+00 -0.249299D+01 -0.978092D+00 -0.173537D+01
      2  -0.150030D+02 -0.297271D+01  0.685170D+01  0.120705D+01 -0.184133D+01
      3   0.138968D+02 -0.592808D+01 -0.202603D+01 -0.347274D+01 -0.179762D+02
                51            52            53            54            55 
      1  -0.153452D+01 -0.305257D+01  0.759059D+01 -0.317599D+01  0.317464D+01
      2  -0.715027D+00  0.641669D+00 -0.396940D+01  0.760461D+01  0.293832D+01
      3   0.241124D+01 -0.866130D+01  0.317898D+01  0.563933D+01 -0.472545D+01
                56            57            58            59            60 
      1   0.264228D+01  0.681766D+01  0.317889D+01  0.442649D+01 -0.697417D+01
      2   0.171321D+01  0.425099D+01  0.172181D+01  0.308655D+01 -0.426724D+01
      3  -0.548122D+01 -0.380904D+01  0.395012D+01  0.133648D+02 -0.600113D+01
                61            62            63            64            65 
      1   0.478815D+01  0.178322D+00 -0.985223D+01 -0.295376D+01  0.306474D+01
      2  -0.205379D+01 -0.246076D+01 -0.526501D+01 -0.548255D+00 -0.439159D+01
      3  -0.556095D+01 -0.754039D+01 -0.145284D+01  0.266652D+01 -0.422261D+01
                66            67            68            69            70 
      1  -0.135693D+02  0.650179D+01 -0.213440D+01  0.839947D+01 -0.112436D+02
      2   0.108694D+02 -0.557691D+00 -0.474069D+01  0.155660D+02  0.330175D+01
      3   0.718068D+01 -0.235473D+01 -0.222257D+01 -0.151497D+01  0.524743D+01
                71            72            73            74            75 
      1   0.852713D+01  0.237725D+01 -0.227599D+01  0.274442D+00 -0.294392D+01
      2   0.965136D+01  0.494952D+01 -0.425633D+00  0.128339D+01  0.580778D+01
      3   0.265179D+00  0.105329D+01  0.554314D+01 -0.199731D+01  0.149882D+01
                76            77            78            79            80 
      1  -0.487658D+00 -0.668923D+00 -0.123289D+01 -0.167052D+01  0.276448D+01
      2  -0.870121D-01  0.305546D+01  0.289198D+01  0.370987D+00 -0.159012D+01
      3   0.139035D+01 -0.234104D+01 -0.159699D+01  0.155830D+01 -0.426310D+01
                81            82            83            84            85 
      1  -0.114909D+01  0.166763D+01  0.278646D+01 -0.184791D-01  0.358274D+00
      2   0.106656D+01 -0.781142D+00 -0.268254D+00  0.156928D+01 -0.125639D+01
      3   0.151670D+01  0.213995D+01  0.125761D+01 -0.693002D+00  0.738353D+01
                86            87            88            89            90 
      1   0.138382D+02 -0.624345D+01  0.711870D+00 -0.809562D+01  0.243549D+01
      2   0.180958D+01  0.629429D+00 -0.569999D+00  0.715411D+00  0.374273D+00
      3  -0.577412D+01 -0.441527D+00 -0.280517D+01 -0.372675D+00 -0.197472D+01
                91            92            93            94            95 
      1  -0.316573D+01  0.202212D+01  0.440413D+01  0.347323D+00 -0.383261D+00
      2   0.231860D+01 -0.128528D+01 -0.943961D+00 -0.880371D+00  0.249021D+01
      3  -0.471003D+01  0.599966D+00  0.431838D+01  0.241358D+01 -0.440508D+01
                96            97            98            99           100 
      1  -0.293894D+01  0.357506D+01 -0.492436D+01 -0.180006D+02  0.400378D+01
      2   0.735461D+00 -0.568226D+01  0.284553D+01  0.429561D+01  0.795131D+01
      3  -0.292780D+01  0.825687D+01 -0.696428D+01 -0.781658D+01 -0.131613D+02
               101           102           103           104           105 
      1   0.944901D+00  0.266346D+01  0.889083D+00  0.123427D+01 -0.128036D+00
      2   0.317230D+00  0.801064D+01  0.208222D+01  0.143082D+01  0.217872D+01
      3  -0.548654D+01 -0.409493D+01 -0.363843D+01 -0.274191D+01 -0.236965D+01
               106           107           108           109           110 
      1   0.288718D+01  0.648744D+00  0.132887D+01 -0.260739D+01  0.183784D+01
      2   0.528197D+01  0.328808D-02  0.468050D+01 -0.331959D+01  0.267740D+01
      3  -0.543234D+01 -0.362435D+01 -0.226589D+01 -0.717134D+00 -0.195979D+01
               111           112           113           114           115 
      1   0.355326D+01  0.195942D+01 -0.908816D+00 -0.375082D+01  0.686772D+01
      2   0.551946D+01  0.287022D+01 -0.413226D+01 -0.500339D+01  0.723081D+01
      3  -0.140596D+01 -0.271494D+01  0.791891D+01  0.296155D+01 -0.229983D+01
               116           117           118           119           120 
      1  -0.498447D+01 -0.133112D+02  0.424515D+00  0.234097D+01 -0.432354D+00
      2  -0.985615D+01 -0.216784D+02  0.145456D+01  0.237576D+01  0.455973D+00
      3   0.567774D+01  0.561321D+01  0.216100D+01  0.618875D+01 -0.264241D+01
               121           122           123           124           125 
      1  -0.913356D+00  0.686568D+01 -0.566993D+01  0.167169D+01 -0.496091D+01
      2   0.127970D+01  0.517178D+01 -0.432060D+01  0.757119D+00 -0.596566D+01
      3  -0.575705D+00  0.308387D+02 -0.639494D+01 -0.206078D+01 -0.108022D+02
               126           127           128           129           130 
      1   0.185814D+01  0.125895D+01 -0.297655D+00 -0.194277D+00 -0.557834D+00
      2   0.190998D+01  0.943913D+00 -0.851743D+00  0.120690D+01 -0.297848D+01
      3   0.580699D+01 -0.593196D+00 -0.576559D+00 -0.328850D+00  0.601206D+01
               131           132           133           134           135 
      1   0.584845D+01 -0.257771D+01 -0.224320D+00  0.341968D+01 -0.864241D+00
      2   0.898385D+00  0.218653D+00 -0.240683D+01  0.487078D-01 -0.594331D+00
      3   0.251247D+00 -0.114768D+00  0.933384D+00  0.505960D+00  0.129472D+00
               136           137           138           139           140 
      1  -0.123430D+02  0.547185D+00  0.243238D+01  0.326306D+01  0.140590D+02
      2   0.122983D+02  0.534656D+01  0.117773D+02  0.678141D+01  0.173288D+01
      3  -0.364184D+01  0.544274D+00  0.529745D+01  0.679941D+01  0.971912D+01
               141           142           143           144           145 
      1  -0.131909D+02  0.108817D+01 -0.427622D+01 -0.309830D+01 -0.337428D+01
      2   0.154836D+01  0.706937D+01  0.358175D+01 -0.497019D+01  0.137701D+02
      3  -0.466154D+01  0.437175D+01 -0.265101D+01 -0.407333D+01 -0.150682D+02
               146           147           148           149           150 
      1   0.128206D+00  0.273222D+01 -0.743988D+00 -0.384504D+01 -0.393866D+01
      2  -0.103881D+01 -0.578319D+01 -0.315779D+01  0.279773D+01  0.583666D+01
      3   0.340261D+01  0.428194D+01  0.142198D+02  0.240977D+02 -0.242481D+01
               151           152           153           154           155 
      1   0.487479D+01  0.730677D+00  0.855408D+01 -0.133566D+01  0.718191D+00
      2  -0.160818D+02  0.401328D+01 -0.176773D+02 -0.127827D+01  0.904623D+00
      3   0.573957D+01 -0.325945D+01 -0.816289D+01 -0.739630D+01 -0.185654D+01
               156           157           158           159           160 
      1   0.292535D+01  0.437091D+00 -0.161399D+01 -0.332892D+01  0.134563D+01
      2   0.381173D+01  0.248744D+00 -0.108965D+01 -0.218613D+01 -0.786740D-01
      3   0.194409D+00  0.452168D+01  0.758131D+00  0.680606D+00  0.545987D+00
               161           162           163           164           165 
      1  -0.322637D+00  0.402286D+00  0.395531D+01  0.422848D+01  0.439411D+01
      2  -0.789503D+00  0.147765D+00 -0.111205D+02 -0.174388D+01 -0.393508D+01
      3   0.125971D+01 -0.291517D+00 -0.337874D+01 -0.307237D+01 -0.246444D+01
               166           167           168           169           170 
      1   0.197795D+01  0.190454D+01  0.303473D+00  0.369248D+01  0.342718D+01
      2  -0.280045D+01 -0.103229D+01 -0.183445D+01 -0.779405D+01 -0.137878D+01
      3   0.550232D+00 -0.664505D-01 -0.437173D+00 -0.146085D+01 -0.190664D+01
               171           172           173           174           175 
      1   0.385377D+01 -0.171770D+01 -0.467297D+01  0.557856D+00 -0.248233D+01
      2  -0.338823D+01  0.962951D+01  0.382262D+01 -0.437227D+01  0.442120D+01
      3  -0.161336D+01  0.462440D+01  0.514696D+00 -0.255899D+01  0.423440D+01
               176           177           178           179           180 
      1  -0.361096D+01 -0.205951D+00  0.109068D+01  0.287171D+01 -0.535914D+00
      2   0.373967D+01 -0.419332D+01 -0.540163D+01 -0.329318D+01  0.386051D+01
      3   0.875265D+00 -0.218647D+01 -0.264175D+01 -0.142629D+00  0.227298D+01
               181           182           183           184           185 
      1   0.653215D+01  0.410332D+01  0.113161D+01  0.329148D+01  0.139380D+01
      2  -0.191373D+02 -0.466456D+01 -0.336690D+01 -0.610325D+01 -0.239418D+01
      3  -0.268827D+01 -0.165887D+01 -0.112709D+01  0.937480D+00 -0.359832D+00
               186           187           188           189           190 
      1   0.102365D+01  0.229363D+01  0.281503D+01  0.242136D+01 -0.350413D+00
      2  -0.453005D+00 -0.734905D+01 -0.106224D+01 -0.472038D+01 -0.808296D+00
      3   0.128152D+00 -0.708010D+00 -0.836437D+00 -0.672229D+00 -0.752705D+00
               191           192           193           194           195 
      1  -0.799460D+00 -0.619547D+00 -0.187464D+01 -0.164769D+02  0.998362D+00
      2   0.105085D+01 -0.369306D+00  0.288087D+01 -0.239633D+01  0.299034D+01
      3  -0.662678D+00 -0.571003D+00  0.302047D+01 -0.103582D+02  0.421369D+01
               196           197           198           199           200 
      1  -0.195056D-01  0.318225D+01 -0.150870D+01  0.587454D+01 -0.472345D+01
      2  -0.160042D+01  0.670178D+00 -0.589422D+00  0.602892D+01 -0.187651D+01
      3  -0.555534D+00  0.117983D+01 -0.107459D+01  0.467061D+01 -0.443036D+01
               201           202           203           204           205 
      1  -0.451734D+01 -0.310186D+01  0.239876D+01  0.326616D+01 -0.365372D+01
      2   0.317126D+00 -0.305063D+01 -0.454204D-01 -0.128399D+01 -0.504892D+01
      3  -0.388527D+01 -0.168242D+01  0.186395D+01  0.262776D+01 -0.259823D+01
               206           207           208           209           210 
      1   0.384259D+01  0.508992D+01 -0.186915D+01  0.180054D+00 -0.133203D+01
      2   0.201608D+00 -0.152487D+00  0.252899D+01  0.848662D+00  0.428647D+01
      3   0.231473D+01  0.343710D+01  0.233495D+01 -0.115251D+01  0.101311D+01
               211           212           213           214           215 
      1  -0.924220D-01 -0.873200D+00  0.115249D+01 -0.159452D+01  0.424547D+01
      2   0.153279D+01  0.229994D+01 -0.356215D+01  0.195816D+01 -0.271376D+01
      3  -0.740956D+00 -0.180391D+00 -0.218210D+01  0.730789D+00 -0.392710D+01
               216           217           218           219           220 
      1  -0.886513D+01  0.252474D+01 -0.690243D+00 -0.154516D+01 -0.613196D+00
      2   0.211899D+02 -0.993541D+01  0.135138D+01  0.912224D+01  0.330123D+01
      3   0.422145D+01  0.126486D+02 -0.662605D+01 -0.368466D+01 -0.624561D+01
               221           222           223           224           225 
      1   0.869742D+00 -0.266544D+00 -0.229916D+01  0.113774D+01  0.709906D+00
      2  -0.217421D+01 -0.396812D+01  0.688482D+01 -0.125274D+01 -0.557849D+01
      3   0.249267D+01  0.234193D+01 -0.550687D+01  0.435473D+01  0.386563D+01
               226           227           228           229           230 
      1   0.738981D+00  0.376045D+00 -0.176085D+00  0.440855D+00  0.374462D+01
      2  -0.125207D+01 -0.422608D+00  0.139865D+01 -0.339322D-01 -0.165095D+01
      3  -0.160499D+01 -0.154877D+01 -0.428385D+00 -0.280015D+01 -0.256800D+02
               231           232           233           234 
      1  -0.481455D+01 -0.521641D+00 -0.176877D+00  0.293371D+00
      2   0.365553D+01  0.117752D+01  0.171295D+01  0.302201D+00
      3   0.100680D+01 -0.888482D+00  0.198079D+01 -0.165427D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.165508D+02  0.412688D+01 -0.312190D+01  0.734668D+01 -0.291754D+02
      2   0.116877D+02 -0.146156D+01  0.307492D+01  0.111101D+01  0.347714D+02
      3   0.486307D+01 -0.266532D+01  0.469840D-01 -0.845769D+01 -0.559604D+01
      4  -0.789801D+01  0.236391D+01 -0.123027D+02 -0.380160D+01  0.540050D+02
      5  -0.190251D+02 -0.798841D+01 -0.499238D+01 -0.138991D+02  0.430997D+01
      6  -0.559620D+01 -0.886352D+01 -0.636500D+01 -0.577722D+01  0.637215D+01
                 6             7             8             9            10 
      1  -0.145845D+02 -0.477400D+01 -0.151692D+02 -0.196730D+02  0.290302D+01
      2   0.105207D+02  0.297833D+01  0.184769D+01  0.302375D+01  0.144897D+01
      3   0.406382D+01  0.179567D+01  0.133215D+02  0.166492D+02 -0.435200D+01
      4   0.410270D+01 -0.212074D+02  0.340848D+01  0.110643D+02 -0.226280D+01
      5   0.593293D+01 -0.557797D+01  0.668284D+01  0.999311D+01  0.287091D+01
      6   0.786402D+01 -0.412223D+01  0.122564D+02  0.623602D+01  0.823937D+00
                11            12            13            14            15 
      1  -0.543637D+01 -0.109695D+02  0.227083D+01  0.455629D+02  0.356159D+01
      2  -0.424738D+01  0.109271D+02 -0.684999D+01 -0.669788D+02  0.688507D+01
      3   0.968375D+01  0.424384D-01  0.457916D+01  0.214159D+02 -0.104467D+02
      4   0.168133D+01  0.362732D+01  0.102158D+02 -0.197563D+02  0.448237D+01
      5   0.686649D+00 -0.313400D+01  0.376753D+01 -0.190863D+00  0.299733D+01
      6   0.173583D+02  0.142899D+02  0.707297D+01  0.575780D+01 -0.639056D+01
                16            17            18            19            20 
      1  -0.115470D+02 -0.139963D+01  0.227907D+02  0.185757D+02 -0.167754D+00
      2   0.582685D+01  0.258375D+02 -0.853645D+01 -0.152383D+02 -0.250029D+01
      3   0.572020D+01 -0.244379D+02 -0.142542D+02 -0.333738D+01  0.266805D+01
      4   0.419298D+01  0.778996D+01  0.501169D+01 -0.416072D+01  0.598957D+01
      5   0.819116D-01  0.680888D+01  0.765214D+01  0.309811D+01  0.883506D+01
      6   0.141030D+02 -0.233226D+02 -0.293030D+02 -0.244742D+01 -0.633877D+01
                21            22            23            24            25 
      1   0.563218D+01  0.275211D+01  0.111712D+02  0.132254D+02 -0.231633D+01
      2  -0.437881D+01 -0.305569D+01 -0.680799D+01 -0.318599D+01 -0.179711D+01
      3  -0.125337D+01  0.303579D+00 -0.436324D+01 -0.100394D+02  0.411344D+01
      4   0.620670D+01  0.581155D+00 -0.564335D+02 -0.158124D+02 -0.160645D+01
      5   0.606559D+01  0.715528D+01 -0.104843D+02 -0.123193D+02  0.162088D+02
      6  -0.101037D+01 -0.110587D+01 -0.749935D+01 -0.121907D+01 -0.125895D+01
                26            27            28            29            30 
      1   0.104574D+02  0.125489D+02 -0.362740D+02 -0.126893D+01 -0.165233D+02
      2  -0.104665D+02 -0.136521D+02  0.281241D+02 -0.748497D+01  0.103867D+02
      3   0.912222D-02  0.110319D+01  0.814992D+01  0.875389D+01  0.613659D+01
      4  -0.185746D+02 -0.134356D+02 -0.205529D+01  0.204229D+01 -0.116294D+02
      5  -0.105330D+02 -0.138175D+02 -0.117204D+02 -0.158668D+02 -0.176641D+02
      6   0.502598D+01 -0.531198D+01  0.131644D+01  0.947535D+01  0.802115D+01
                31            32            33            34            35 
      1  -0.171639D+02  0.131881D+02 -0.183333D+02 -0.196875D+02 -0.226999D+02
      2   0.791630D+01 -0.278392D+02  0.182398D+02  0.649569D+01  0.286900D+02
      3   0.924755D+01  0.146511D+02  0.935730D-01  0.131918D+02 -0.599006D+01
      4  -0.463579D+01  0.415965D+02  0.194001D+01 -0.141568D+02  0.115157D+01
      5  -0.153090D+02 -0.487331D+01  0.110913D+02 -0.302204D+02  0.277228D+02
      6   0.215087D+01  0.138873D+02 -0.900445D+01  0.150985D+02 -0.201164D+02
                36            37            38            39            40 
      1  -0.150194D+02 -0.158581D+02 -0.406287D+01  0.151125D+01 -0.151805D+02
      2   0.113315D+02  0.115457D+02  0.328149D+01 -0.302120D+01  0.106597D+01
      3   0.368788D+01  0.431243D+01  0.781379D+00  0.150995D+01  0.141145D+02
      4   0.242787D+02  0.614831D+01  0.121304D+01  0.445326D+01  0.217232D+01
      5   0.334154D+02  0.449271D+01 -0.707268D+00 -0.166285D+01 -0.985515D+00
      6  -0.192777D+02  0.699810D+01 -0.661782D+00  0.446388D+01  0.570647D-01
                41            42            43            44            45 
      1   0.224864D+02  0.341027D+01  0.121577D+02  0.127026D+02  0.428890D+00
      2  -0.129622D+02 -0.107360D+02 -0.360466D+01 -0.152288D+02  0.520774D+01
      3  -0.952416D+01  0.732570D+01 -0.855306D+01  0.252619D+01 -0.563663D+01
      4  -0.948390D+01 -0.148204D+01  0.969606D+01  0.114093D+00  0.110250D+01
      5   0.127417D+01  0.569440D+01 -0.729269D+01  0.728649D+00 -0.135029D+01
      6  -0.139591D+02 -0.197810D+02 -0.727270D+00 -0.109757D+02  0.370530D+01
                46            47            48            49            50 
      1   0.150075D+01 -0.989514D+01 -0.158933D+02 -0.116405D+02 -0.602368D+01
      2  -0.886629D+01  0.271139D+01  0.123388D+02  0.970484D+01  0.551078D+01
      3   0.736554D+01  0.718375D+01  0.355447D+01  0.193562D+01  0.512895D+00
      4  -0.171726D+02  0.369577D+01 -0.995401D+01  0.594731D+01  0.207101D+02
      5  -0.198728D+02 -0.512766D+01  0.923647D+01  0.153035D+01 -0.672824D+01
      6  -0.108028D+02  0.903641D-01  0.107497D+01 -0.144219D+01 -0.480157D+01
                51            52            53            54            55 
      1  -0.605451D+01 -0.229906D+02 -0.862521D+01  0.115642D+02 -0.105332D+02
      2  -0.341062D+01  0.123792D+02  0.368617D+01 -0.579535D+01 -0.517561D+01
      3   0.946513D+01  0.106114D+02  0.493903D+01 -0.576888D+01  0.157088D+02
      4  -0.880776D+01 -0.845814D+01 -0.103545D+02  0.219996D+01  0.242586D+02
      5  -0.532385D+01  0.125192D+02 -0.103927D+01  0.458599D+01  0.468317D+00
      6   0.964081D+01  0.587077D+01 -0.846031D+00  0.356276D+01  0.210873D+01
                56            57            58            59            60 
      1   0.982479D+01  0.365182D+01  0.294654D+01 -0.135739D+02  0.289088D+01
      2   0.477704D+01 -0.113811D+02  0.482430D+01  0.927641D+01  0.458028D+00
      3  -0.146018D+02  0.772932D+01 -0.777083D+01  0.429754D+01 -0.334891D+01
      4  -0.255820D+02  0.203046D+01 -0.240518D+02  0.672942D+01  0.356693D+01
      5   0.238308D+01  0.101906D+01 -0.258140D+01  0.275824D+01  0.404461D+00
      6  -0.106519D+02 -0.727465D+01 -0.623643D+01  0.391896D+01 -0.824506D+00
                61            62            63            64            65 
      1   0.737686D+00  0.620239D+01  0.163853D+01  0.847194D+01  0.838673D+01
      2  -0.531882D+01 -0.780442D+01  0.898433D+01  0.744800D+01  0.183151D+01
      3   0.458113D+01  0.160203D+01 -0.106229D+02 -0.159199D+02 -0.102182D+02
      4   0.539553D+01  0.600641D+01 -0.782892D+01 -0.465716D+01 -0.384057D+00
      5   0.335437D+01 -0.195902D+01 -0.136846D+01 -0.396737D+01  0.404204D+01
      6  -0.534621D+01  0.650098D+01  0.813871D+01  0.772045D+01  0.157698D+02
                66            67            68            69            70 
      1  -0.336483D+01  0.147172D+02 -0.247915D+01 -0.157751D+01  0.195792D+01
      2   0.161169D+02  0.397471D+01 -0.318596D+01 -0.226000D+01  0.114789D+02
      3  -0.127521D+02 -0.186919D+02  0.566511D+01  0.383751D+01 -0.134368D+02
      4   0.338604D+01  0.259808D+01 -0.256853D+01  0.922112D+01 -0.293831D+01
      5  -0.198200D+02  0.124208D+01  0.597610D+01 -0.148276D+02 -0.145051D+02
      6  -0.111788D+02  0.139212D+02 -0.561526D+01  0.569839D+01 -0.514523D+01
                71            72            73            74            75 
      1  -0.738444D+01 -0.448103D+01  0.359388D+02  0.101572D+02  0.112369D+02
      2   0.529564D+01 -0.110146D+01 -0.202360D+02 -0.484962D+01 -0.961610D+01
      3   0.208880D+01  0.558250D+01 -0.157028D+02 -0.530761D+01 -0.162078D+01
      4   0.599091D+01 -0.246746D+00  0.283168D+02  0.151248D+02  0.126564D+02
      5  -0.635144D+01 -0.561238D+01  0.249155D+02  0.986300D+01  0.174448D+02
      6  -0.205162D+00  0.146002D+01  0.855672D+01  0.536440D+01  0.594199D+01
                76            77            78            79            80 
      1   0.445875D+01  0.496787D+00 -0.451849D+00  0.126614D+02  0.377659D+01
      2  -0.747973D+00  0.257392D+01  0.301627D+00 -0.861723D+01  0.369050D+00
      3  -0.371077D+01 -0.307071D+01  0.150222D+00 -0.404417D+01 -0.414564D+01
      4   0.139203D+02  0.125281D+02  0.936561D+01  0.146801D+02  0.134774D+02
      5   0.678248D+01  0.835766D+01  0.701793D+01  0.158419D+02  0.549919D+01
      6   0.543058D+01  0.686251D+01  0.587411D+01  0.624925D+01  0.526108D+01
                81            82            83            84            85 
      1   0.586410D+01 -0.150858D+01 -0.533754D+01  0.333721D+00 -0.247039D+01
      2  -0.554808D+01  0.725748D+01  0.132987D+02 -0.637475D+00  0.778574D+01
      3  -0.316024D+00 -0.574890D+01 -0.796112D+01  0.303755D+00 -0.531535D+01
      4   0.828541D+01  0.593425D+01  0.150586D+02 -0.125773D+01  0.754867D+01
      5   0.107645D+02 -0.382090D+00  0.741832D+00  0.251365D+01  0.378911D-03
      6   0.528379D+01 -0.134964D+01 -0.133342D+01 -0.307148D+00 -0.350602D+00
                86            87            88            89            90 
      1  -0.493778D+02  0.245149D+01  0.165422D+01  0.131518D+02 -0.810072D+01
      2   0.883212D+02 -0.648279D+01 -0.220554D+01 -0.260763D+02  0.874911D+01
      3  -0.389435D+02  0.403130D+01  0.551326D+00  0.129245D+02 -0.648389D+00
      4   0.214500D+02 -0.209727D+01 -0.279784D+01 -0.630075D+01  0.210805D+01
      5   0.358482D+00  0.507658D+00  0.169611D+01  0.757454D+00 -0.168180D+01
      6  -0.581797D+01  0.804390D+01 -0.726621D+00  0.153902D+02 -0.174805D+01
                91            92            93            94            95 
      1  -0.238023D+01  0.374163D+01  0.571239D+01  0.182110D+01 -0.155569D+02
      2  -0.141478D+01 -0.171173D+01 -0.251893D+01 -0.169558D+01  0.167121D+02
      3   0.379501D+01 -0.202990D+01 -0.319347D+01 -0.125519D+00 -0.115520D+01
      4  -0.342644D+01  0.569915D+01  0.512665D+01  0.116435D+01  0.824060D+00
      5  -0.329310D+01  0.368774D+01  0.723994D+01  0.772620D+00 -0.940437D+00
      6   0.639682D+01 -0.738326D+01 -0.898385D+01 -0.365102D+01  0.117827D+02
                96            97            98            99           100 
      1  -0.888826D+01  0.795025D+01 -0.188075D+02 -0.290397D+02  0.708477D+02
      2   0.636938D+01 -0.145238D+01  0.694458D+01  0.244796D+01 -0.391141D+02
      3   0.251888D+01 -0.649787D+01  0.118629D+02  0.265918D+02 -0.317336D+02
      4  -0.132149D+01  0.347898D+01 -0.193757D+01 -0.234643D+01 -0.110561D+02
      5  -0.137377D+01  0.556471D+01 -0.344952D+01 -0.491326D+01  0.172229D+02
      6   0.138318D+02 -0.872595D+01  0.286322D+02  0.409680D+02 -0.549737D+01
               101           102           103           104           105 
      1   0.183329D+01  0.161909D+02  0.217285D+02  0.407955D+01  0.511365D+01
      2  -0.292689D+01 -0.983051D+01 -0.128039D+02 -0.122515D+01 -0.440267D+01
      3   0.109360D+01 -0.636037D+01 -0.892461D+01 -0.285439D+01 -0.710982D+00
      4   0.848684D+01 -0.216197D+01  0.507616D+01  0.320505D+01  0.267378D+01
      5   0.266065D+00  0.143486D+02  0.523554D+01  0.322188D+01  0.391552D+01
      6  -0.274980D+00 -0.490342D+01 -0.514293D+00 -0.100882D+01  0.766619D+00
               106           107           108           109           110 
      1   0.267285D+02  0.616696D+00  0.121772D+02  0.156188D+02 -0.580854D+01
      2  -0.166244D+02 -0.305254D+01 -0.101173D+02 -0.108209D+02  0.386296D+01
      3  -0.101041D+02  0.243585D+01 -0.205986D+01 -0.479793D+01  0.194558D+01
      4  -0.551802D+01  0.515917D+01 -0.299840D+01 -0.988507D+01  0.646536D+01
      5   0.185586D+02 -0.111933D+01  0.101203D+02 -0.128021D+02  0.821271D+01
      6  -0.448473D+01  0.250942D+01 -0.187475D+01  0.539956D+01 -0.388284D+01
               111           112           113           114           115 
      1  -0.808362D+01 -0.209334D+01 -0.418611D+00  0.188566D+01 -0.161169D+02
      2   0.567083D+01 -0.429092D+00  0.517761D+01 -0.231165D+00  0.131230D+02
      3   0.241279D+01  0.252243D+01 -0.475900D+01 -0.165450D+01  0.299389D+01
      4   0.885337D+01  0.118419D+02 -0.180697D+02 -0.101013D+02  0.216071D+02
      5   0.156559D+02  0.701944D+01 -0.908422D+01 -0.104202D+02  0.287318D+02
      6  -0.582431D+01 -0.456886D+01  0.547488D+01  0.105672D+02 -0.132884D+02
               116           117           118           119           120 
      1   0.762090D+01  0.508669D+01 -0.473637D+00 -0.958972D+01  0.418644D+01
      2  -0.673870D+01 -0.145651D+02  0.108404D+01  0.118461D+02 -0.270663D+01
      3  -0.882197D+00  0.947846D+01 -0.610407D+00 -0.225634D+01 -0.147981D+01
      4  -0.208169D+02 -0.224606D+02 -0.463008D+00 -0.255566D+01  0.355390D+00
      5  -0.246111D+02 -0.472519D+02  0.193456D+01  0.207235D+01  0.164584D+01
      6   0.180071D+02  0.260392D+02 -0.148391D+01 -0.358368D+01  0.101501D+01
               121           122           123           124           125 
      1  -0.757791D+01 -0.214229D+02  0.772797D+01  0.516332D+01  0.104072D+02
      2  -0.259741D+00  0.460393D+02 -0.102668D+02 -0.550074D+00 -0.165897D+02
      3   0.783765D+01 -0.246164D+02  0.253880D+01 -0.461325D+01  0.618248D+01
      4   0.155249D+02 -0.468047D+02  0.767092D+01 -0.356919D+01  0.142657D+02
      5   0.146861D+00  0.111411D+02 -0.862831D+01  0.710598D+01 -0.134242D+02
      6   0.279972D+01 -0.171516D+02  0.991183D+01 -0.405610D+01  0.157381D+02
               126           127           128           129           130 
      1  -0.341921D+01  0.500570D+00 -0.126174D+01 -0.455741D+00  0.590058D+00
      2   0.409363D+01  0.202599D+01  0.824455D+00  0.602965D+00 -0.153256D+01
      3  -0.674418D+00 -0.252656D+01  0.437285D+00 -0.147224D+00  0.942501D+00
      4  -0.105311D+02 -0.678678D+00  0.850589D+01  0.223909D+01  0.685292D+01
      5   0.146321D+01 -0.109641D+01  0.353137D+01  0.404014D+01  0.334098D+01
      6  -0.506818D+01  0.375131D+01  0.824485D-01  0.118901D+01 -0.330440D+01
               131           132           133           134           135 
      1  -0.229976D+02 -0.108936D+02  0.344063D+00 -0.927226D+01 -0.104508D+02
      2   0.273307D+02  0.865877D+01  0.649005D+00  0.668149D+01  0.197025D+01
      3  -0.433306D+01  0.223480D+01 -0.993068D+00  0.259077D+01  0.848055D+01
      4  -0.119998D+01 -0.134233D+01  0.184030D+01 -0.129870D+01  0.465596D+00
      5  -0.212265D+01 -0.976888D+00  0.301572D+01 -0.721454D+00 -0.231941D+01
      6   0.261780D+02  0.170684D+02 -0.949653D+00  0.156559D+02  0.115556D+02
               136           137           138           139           140 
      1   0.635179D+01  0.617654D+01  0.125142D+02  0.979427D+01  0.138926D+02
      2   0.160247D+02 -0.517372D+01 -0.113431D+02 -0.109100D+02 -0.190755D+02
      3  -0.223765D+02 -0.100282D+01 -0.117114D+01  0.111570D+01  0.518298D+01
      4   0.973129D+01  0.301892D+01  0.278319D+01  0.359513D+00 -0.162324D+02
      5   0.144399D+02 -0.752501D+01 -0.216178D+02 -0.117510D+02  0.660400D+01
      6  -0.513951D+01  0.259217D+01  0.456466D+01  0.556776D+01  0.284054D+02
               141           142           143           144           145 
      1  -0.192966D+01  0.954647D+01  0.190344D+01 -0.154329D+02 -0.186102D+02
      2   0.175069D+02 -0.895825D+01  0.972922D+01  0.184243D+01  0.151130D+02
      3  -0.155773D+02 -0.588228D+00 -0.116327D+02  0.135904D+02  0.349713D+01
      4   0.766060D+01  0.404954D+01  0.468110D+01  0.161524D+01  0.223745D+02
      5   0.952100D+01 -0.215388D+02  0.479533D+01  0.366004D+01  0.264067D+02
      6  -0.995171D+01  0.122863D+01 -0.335955D+01 -0.124695D+02  0.774355D+01
               146           147           148           149           150 
      1   0.182082D+02  0.249885D+02  0.305848D+02  0.121188D+02 -0.235735D+01
      2  -0.109243D+02 -0.112843D+02 -0.224694D+02 -0.283247D+02  0.368631D+01
      3  -0.728394D+01 -0.137041D+02 -0.811539D+01  0.162059D+02 -0.132896D+01
      4   0.242997D+01  0.448354D+01 -0.518868D+01 -0.354555D+02  0.683232D+01
      5   0.182364D+01 -0.958335D+01 -0.143553D+01  0.593015D+01  0.984774D+01
      6   0.833038D+00 -0.175137D+01  0.503828D+00 -0.116624D+01  0.259977D+01
               151           152           153           154           155 
      1   0.310767D+02 -0.179277D+01 -0.137870D+02  0.228739D+02 -0.956205D+01
      2  -0.131148D+02  0.308074D+01  0.146803D+02  0.169917D+00 -0.781263D+01
      3  -0.179619D+02 -0.128797D+01 -0.893300D+00 -0.230439D+02  0.173747D+02
      4   0.287343D+01  0.739697D+01  0.558451D+01 -0.353854D+02  0.303738D+02
      5  -0.154033D+02  0.739535D+01 -0.243498D+02  0.287455D+01 -0.271104D+01
      6  -0.404800D+01  0.399058D+01 -0.825387D+01 -0.357333D+01  0.370430D+01
               156           157           158           159           160 
      1  -0.622541D+00 -0.353515D+01 -0.438943D+00  0.899091D-01 -0.634544D+00
      2   0.105704D+01 -0.100444D+02  0.176425D+02  0.804429D+00  0.666445D+00
      3  -0.434502D+00  0.135795D+02 -0.172036D+02 -0.894338D+00 -0.319012D-01
      4  -0.108742D+01  0.244679D+02 -0.263315D+02  0.200593D+00 -0.334736D+00
      5   0.576907D+01 -0.195621D+01  0.139099D+01 -0.189344D+01  0.614932D+01
      6  -0.295025D+01  0.272255D+01 -0.334217D+01  0.515496D+01 -0.408357D+01
               161           162           163           164           165 
      1   0.172131D+00  0.306136D-01  0.229228D+01  0.135846D+01 -0.507482D+01
      2   0.147203D+01  0.481393D+00 -0.139829D+02 -0.182542D+01 -0.155211D+02
      3  -0.164416D+01 -0.512007D+00  0.116907D+02  0.466961D+00  0.205959D+02
      4  -0.442289D+00 -0.504331D+01 -0.143575D+01  0.383587D+01 -0.254373D+01
      5  -0.424778D+01  0.232973D+00  0.191656D+02  0.453905D+00  0.206326D+02
      6   0.655026D+01 -0.259310D+01 -0.396056D+01  0.252045D+01 -0.482623D+01
               166           167           168           169           170 
      1  -0.182105D+01 -0.728496D+00 -0.181321D+01 -0.336221D+01  0.845915D+00
      2  -0.223100D+01 -0.233347D+01 -0.326227D+01 -0.126042D+02 -0.131022D+01
      3   0.405205D+01  0.306197D+01  0.507548D+01  0.159664D+02  0.464306D+00
      4   0.289464D+01  0.309133D+00  0.157617D+01 -0.152833D+01  0.194168D+01
      5   0.167196D+01  0.335292D+01  0.316696D+01  0.175293D+02  0.156901D+01
      6   0.217343D+01  0.103243D+01  0.541754D+01 -0.226165D+01  0.506329D+01
               171           172           173           174           175 
      1  -0.140067D+02 -0.316492D+01 -0.647111D+01  0.925234D+01 -0.496735D+01
      2  -0.215758D+02 -0.346047D+01  0.113164D+01  0.346229D+01  0.421035D+00
      3   0.355826D+02  0.662540D+01  0.533948D+01 -0.127146D+02  0.454631D+01
      4  -0.196376D+01  0.618139D+01  0.563821D+01 -0.603763D+01  0.490209D+01
      5   0.224944D+02 -0.133896D+02 -0.699915D+01  0.146089D+02 -0.630376D+01
      6  -0.655451D+01 -0.984368D+01 -0.120162D+02  0.135771D+02 -0.892990D+01
               176           177           178           179           180 
      1  -0.937125D+01  0.974364D+01  0.425445D+01  0.724100D+01 -0.126913D+02
      2   0.697706D+01 -0.141986D+00  0.188248D+01  0.297292D+00 -0.692357D+01
      3   0.239420D+01 -0.960165D+01 -0.613694D+01 -0.753829D+01  0.196148D+02
      4   0.413670D+01 -0.404924D+01 -0.246408D+01 -0.316851D+01  0.317267D+01
      5  -0.592955D+01  0.701937D+01  0.986489D+01  0.474448D+01 -0.904648D+01
      6  -0.132858D+02  0.142453D+02  0.681027D+01  0.103288D+02 -0.151924D+02
               181           182           183           184           185 
      1  -0.448426D+01 -0.201726D+00 -0.119291D+02 -0.239740D+01 -0.324482D+01
      2  -0.498795D+01 -0.640904D+00 -0.543683D+01  0.102219D+01  0.205731D+01
      3   0.947220D+01  0.842630D+00  0.173659D+02  0.137521D+01  0.118751D+01
      4  -0.803138D+01 -0.894567D+00 -0.285218D+01 -0.650470D+00  0.367147D+00
      5   0.117312D+02  0.233011D+01  0.644022D+01  0.424153D+01  0.671737D+00
      6   0.196720D+01  0.454382D+01 -0.323604D+01  0.229758D+01 -0.511481D+00
               186           187           188           189           190 
      1  -0.335499D+01 -0.658338D+01 -0.173508D+01 -0.768837D+01 -0.848592D+00
      2  -0.397761D+01 -0.364621D+01 -0.186091D+01 -0.679501D+01  0.636598D+00
      3   0.733260D+01  0.102296D+02  0.359599D+01  0.144834D+02  0.211994D+00
      4  -0.978759D+00 -0.287513D+01  0.237591D+00 -0.242971D+01  0.240678D+01
      5  -0.116725D+01  0.938866D+01  0.754364D+00  0.532337D+01 -0.328180D+01
      6   0.289564D+01  0.242665D-01  0.350796D+01  0.106150D+01 -0.314504D+01
               191           192           193           194           195 
      1   0.152765D+01 -0.137593D+01  0.505979D-01 -0.219055D+02  0.122083D+02
      2  -0.847606D-01  0.167830D+01  0.224049D+01  0.307529D+02 -0.686387D+01
      3  -0.144289D+01 -0.302370D+00 -0.229109D+01 -0.884743D+01 -0.534440D+01
      4   0.685722D+01 -0.251353D+01  0.882137D+01  0.188305D+02 -0.715004D+01
      5  -0.319288D+01  0.556383D+01 -0.483738D+01 -0.664252D+01  0.560177D+01
      6  -0.201976D+01  0.689931D+00 -0.471834D+01 -0.366190D+02  0.205050D+02
               196           197           198           199           200 
      1  -0.444339D+00  0.501387D+01 -0.505079D+01  0.147376D+02 -0.291482D+01
      2   0.146870D+01 -0.745203D+00  0.783565D+00 -0.208854D+02  0.371017D+01
      3  -0.102437D+01 -0.426867D+01  0.426723D+01  0.614786D+01 -0.795349D+00
      4  -0.817581D+00 -0.206867D+01  0.261833D+01 -0.990233D+00  0.501665D+01
      5   0.381825D+01  0.204458D+01 -0.317870D+01 -0.294705D+02  0.465263D+01
      6   0.995098D+00  0.109242D+02 -0.702180D+01  0.332503D+01 -0.607930D+01
               201           202           203           204           205 
      1  -0.403517D+01 -0.485548D+01 -0.203559D+00  0.243053D-01 -0.238643D+01
      2   0.177525D+02  0.725760D+01 -0.108572D+01 -0.883183D+01  0.125117D+02
      3  -0.137173D+02 -0.240212D+01  0.128928D+01  0.880752D+01 -0.101253D+02
      4   0.185691D-01  0.459413D+01 -0.230009D+01 -0.454546D+01 -0.793919D+00
      5   0.276273D+02  0.113602D+02 -0.680945D+01 -0.111647D+02  0.200825D+02
      6  -0.111952D+01 -0.558351D+01  0.182319D+01  0.689753D+01 -0.187030D+01
               206           207           208           209           210 
      1   0.163253D+00 -0.253160D+01  0.806416D+01 -0.229147D+01  0.490369D+01
      2  -0.399867D+01 -0.169651D+02 -0.758238D+01  0.142563D+01 -0.579344D+01
      3   0.383542D+01  0.194967D+02 -0.481782D+00  0.865839D+00  0.889754D+00
      4  -0.263598D+01 -0.116064D+01 -0.975812D+00  0.129524D+01  0.839083D+00
      5  -0.414573D+01 -0.225986D+02  0.717897D+01 -0.702524D+00  0.133918D+02
      6   0.561376D+01  0.192756D+01  0.784293D+00  0.281222D+00  0.205869D+01
               211           212           213           214           215 
      1  -0.697142D+01 -0.118905D+01 -0.918802D+00  0.110942D+02  0.918433D+00
      2   0.458012D+01  0.167323D+01  0.175746D+01 -0.938329D+01  0.166025D+01
      3   0.239130D+01 -0.484181D+00 -0.838658D+00 -0.171093D+01 -0.257868D+01
      4   0.248989D+01  0.161908D+01  0.387819D+01  0.446601D+01  0.676713D+01
      5  -0.189546D+01  0.329798D+01 -0.458583D+01  0.193893D+02 -0.879069D+00
      6   0.706049D+00 -0.463735D-01  0.278726D+01  0.492415D+01  0.383363D+01
               216           217           218           219           220 
      1   0.402946D+01  0.650359D+02 -0.696563D+01 -0.159240D+02 -0.239368D+02
      2  -0.169080D+02 -0.352025D+02  0.502759D+01  0.892065D+01  0.138500D+02
      3   0.128786D+02 -0.298334D+02  0.193804D+01  0.700332D+01  0.100867D+02
      4   0.250865D+00 -0.326015D+00  0.855638D+01  0.709898D+00  0.104461D+02
      5   0.378860D+02 -0.160766D+02  0.178109D+01  0.131935D+02  0.525989D+01
      6   0.111833D+02 -0.349128D+01  0.429120D+00  0.317444D+01 -0.341013D-01
               221           222           223           224           225 
      1   0.576702D+01  0.439007D+01 -0.301021D+02  0.172230D+01  0.120705D+02
      2  -0.422750D+00 -0.300707D+01  0.169445D+02 -0.224865D+01 -0.986030D+01
      3  -0.534427D+01 -0.138300D+01  0.131576D+02  0.526353D+00 -0.221021D+01
      4  -0.222356D+01 -0.391629D+01 -0.735185D+00 -0.644185D+01 -0.157018D+01
      5  -0.370747D+01 -0.623817D+01  0.175173D+02 -0.228773D+01 -0.106435D+02
      6   0.489148D+00  0.613088D+00  0.272141D+01  0.666206D+00 -0.969372D+00
               226           227           228           229           230 
      1   0.572600D+01  0.502683D+01 -0.216953D+01  0.598323D+01 -0.125813D+02
      2   0.251286D-01 -0.165085D+01  0.119506D+01  0.640776D+01  0.392759D+02
      3  -0.575113D+01 -0.337598D+01  0.974468D+00 -0.123910D+02 -0.266946D+02
      4   0.485803D+01  0.895564D+01 -0.600031D+00  0.224733D+02  0.498986D+02
      5  -0.199377D+01  0.286021D+00  0.201084D+01  0.142723D+01 -0.113231D+01
      6  -0.561474D+00  0.446743D-01 -0.329873D+00  0.124139D+01  0.366898D+01
               231           232           233           234 
      1   0.121540D+01 -0.466705D+01  0.751047D+00 -0.173032D+00
      2  -0.168978D+01  0.118664D+01 -0.269000D+01  0.143214D+01
      3   0.474385D+00  0.348041D+01  0.193896D+01 -0.125911D+01
      4  -0.113871D+01 -0.247890D+01 -0.434790D+01  0.425760D+01
      5   0.620093D+01  0.468384D+01  0.461544D+01  0.968865D+00
      6   0.676161D+01  0.241907D+01  0.625755D+01 -0.655079D+00
 Leave Link  716 at Thu Jul  8 18:42:46 2021, MaxMem= 10737418240 cpu:               2.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.126564D+03 -0.650364D+00  0.428253D+00
      2  -0.650364D+00  0.122888D+03  0.482853D+01
      3   0.428253D+00  0.482853D+01  0.109974D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.216556D+00  0.290029D+01  0.532548D+01
      2   0.463234D+01  0.162299D+02 -0.366156D+01
      3   0.844516D+01 -0.245479D+02 -0.155051D+02
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.128958D+02 -0.412206D+02  0.814766D+00
      2   0.530143D+01  0.213293D+02  0.823861D+01
      3  -0.181972D+02  0.198913D+02 -0.905337D+01
      4  -0.413192D+02  0.371399D+02  0.278844D+02
      5   0.140612D+02  0.252199D+02 -0.204235D+02
      6   0.106095D+02  0.187952D+02  0.706764D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.371243D+01  0.247538D+00 -0.183344D+01  0.274965D+01 -0.902056D+00
      2   0.247538D+00 -0.808977D+00 -0.267119D+01 -0.902056D+00  0.170014D+02
      3  -0.183344D+01 -0.267119D+01 -0.218387D+01 -0.233661D+01  0.337681D+01
                 6             7             8             9            10 
      1  -0.233661D+01 -0.123779D+01 -0.327617D+01 -0.186410D+01  0.792149D+00
      2   0.337681D+01 -0.327617D+01  0.262631D+01  0.371650D+01  0.526890D+00
      3   0.349456D+01 -0.186410D+01  0.371650D+01  0.564040D+01  0.364026D+00
                11            12            13            14            15 
      1   0.526890D+00  0.364026D+00  0.162967D+01  0.389280D+00  0.229436D+01
      2   0.107482D+01  0.351583D+01  0.389280D+00 -0.123622D+02  0.273480D+00
      3   0.351583D+01  0.296726D+01  0.229436D+01  0.273480D+00 -0.133710D+01
                16            17            18            19            20 
      1   0.129982D+01  0.334383D+01  0.300503D+01  0.252606D+01 -0.267850D+01
      2   0.334383D+01  0.238642D+01 -0.416393D+01 -0.267850D+01  0.142943D+01
      3   0.300503D+01 -0.416393D+01 -0.600507D+01 -0.508847D+00  0.119021D+01
                21            22            23            24            25 
      1  -0.508847D+00 -0.313225D+01  0.155662D+01  0.157701D+01 -0.128306D+01
      2   0.119021D+01  0.155662D+01 -0.170405D+02 -0.446136D+01  0.648561D+00
      3   0.782607D+00  0.157701D+01 -0.446136D+01 -0.467431D+01  0.170583D+01
                26            27            28            29            30 
      1   0.648561D+00  0.170583D+01 -0.518165D+01 -0.368697D+00 -0.118629D+01
      2  -0.489755D+01 -0.399392D+01 -0.368697D+00 -0.585542D+00 -0.295330D+01
      3  -0.399392D+01 -0.465529D+01 -0.118629D+01 -0.295330D+01 -0.269700D+01
                31            32            33            34            35 
      1  -0.248701D+01 -0.294422D+01 -0.290545D+01 -0.150476D+01 -0.301606D+01
      2  -0.294422D+01  0.106610D+02 -0.264820D+00 -0.301606D+01 -0.684155D+00
      3  -0.290545D+01 -0.264820D+00  0.177170D+01 -0.471247D+01  0.425848D+01
                36            37            38            39            40 
      1  -0.471247D+01  0.528475D+01  0.186314D+01 -0.299455D+01 -0.251081D+01
      2   0.425848D+01  0.186314D+01  0.116715D+01 -0.107752D+01 -0.169241D+00
      3   0.505583D+01 -0.299455D+01 -0.107752D+01  0.424829D+01 -0.207618D+01
                41            42            43            44            45 
      1  -0.169241D+00 -0.207618D+01 -0.691494D+01 -0.116148D+01  0.260721D+01
      2   0.452459D+01  0.441223D+01 -0.116148D+01  0.365058D+01  0.329442D+00
      3   0.441223D+01 -0.200788D+01  0.260721D+01  0.329442D+00  0.335025D+00
                46            47            48            49            50 
      1  -0.456661D+01  0.173985D+01  0.562524D+01  0.394551D+01 -0.185545D+01
      2   0.173985D+01 -0.178332D+01  0.674980D+00 -0.185545D+01 -0.899457D+01
      3   0.562524D+01  0.674980D+00 -0.213890D+01  0.134652D+01  0.170179D+01
                51            52            53            54            55 
      1   0.134652D+01  0.904139D+01  0.103782D+01 -0.164032D+01  0.326096D+01
      2   0.170179D+01  0.103782D+01  0.311070D+01  0.191092D+01 -0.443848D+01
      3   0.119507D+01 -0.164032D+01  0.191092D+01 -0.302552D+01 -0.158681D+01
                56            57            58            59            60 
      1  -0.443848D+01 -0.158681D+01 -0.379314D+01  0.532915D+01 -0.197422D+01
      2   0.485821D+01 -0.150850D+01  0.532915D+01  0.401933D+01 -0.284639D+01
      3  -0.150850D+01 -0.167460D+01 -0.197422D+01 -0.284639D+01  0.368416D+01
                61            62            63            64            65 
      1  -0.190502D+01 -0.196900D+01 -0.175977D+01  0.452905D+00 -0.113733D+01
      2  -0.196900D+01 -0.376496D+01  0.162540D+01 -0.113733D+01 -0.254626D+01
      3  -0.175977D+01  0.162540D+01  0.361701D+01  0.393625D+01  0.421781D+01
                66            67            68            69            70 
      1   0.393625D+01  0.809985D+00 -0.203263D+01  0.492660D+01  0.310834D+01
      2   0.421781D+01 -0.203263D+01  0.138658D+01 -0.100593D+01  0.313558D+01
      3   0.747476D+00  0.492660D+01 -0.100593D+01 -0.902774D+00  0.113960D+01
                71            72            73            74            75 
      1   0.313558D+01  0.113960D+01  0.815791D+01  0.271662D+01  0.352161D+01
      2  -0.898702D+00 -0.162734D+01  0.271662D+01  0.124853D+01  0.141648D+01
      3  -0.162734D+01 -0.438187D+00  0.352161D+01  0.141648D+01  0.233200D+01
                76            77            78            79            80 
      1   0.206333D+01  0.141165D+01  0.101349D+01  0.347567D+01  0.175748D+01
      2   0.141165D+01  0.211345D+01  0.156270D+01  0.175748D+01  0.206545D+01
      3   0.101349D+01  0.156270D+01  0.134933D+01  0.235960D+01  0.879496D+00
                81            82            83            84            85 
      1   0.235960D+01  0.927934D+00  0.141049D+01 -0.361099D+00  0.134542D+01
      2   0.879496D+00  0.141049D+01  0.219375D+01 -0.267763D+00  0.111382D+01
      3   0.135260D+01 -0.361099D+00 -0.267763D+00 -0.146207D+00 -0.291264D+00
                86            87            88            89            90 
      1   0.111382D+01 -0.291264D+00 -0.786841D+00 -0.785882D+00 -0.146171D+00
      2   0.141387D+02 -0.879154D+00 -0.785882D+00 -0.397107D+01  0.220938D+01
      3  -0.879154D+00  0.895893D+00 -0.146171D+00  0.220938D+01  0.838525D-02
                91            92            93            94            95 
      1  -0.127655D+01  0.771329D+00  0.146035D+01  0.188561D+00 -0.779724D+00
      2   0.771329D+00 -0.826950D+00 -0.130084D+01 -0.779724D+00  0.376247D+01
      3   0.146035D+01 -0.130084D+01 -0.192911D+01 -0.581311D+00  0.215259D+01
                96            97            98            99           100 
      1  -0.581311D+00  0.163957D+01 -0.160096D+01 -0.187092D+01  0.914389D+01
      2   0.215259D+01 -0.160096D+01  0.377794D+01  0.471004D+01 -0.164872D+00
      3   0.177654D+01 -0.187092D+01  0.471004D+01  0.850524D+01  0.219015D+01
               101           102           103           104           105 
      1  -0.164872D+00  0.219015D+01  0.322823D+01  0.576693D+00  0.707832D+00
      2   0.836217D+00  0.114290D+00  0.576693D+00  0.332044D+00  0.462273D+00
      3   0.114290D+00  0.156906D+01  0.707832D+00  0.462273D+00  0.482745D+00
               106           107           108           109           110 
      1   0.399057D+01 -0.221621D+00  0.225521D+01  0.243838D+01 -0.987248D+00
      2  -0.221621D+00  0.800486D+00 -0.212740D+00 -0.987248D+00  0.374632D+00
      3   0.225521D+01 -0.212740D+00  0.115112D+01 -0.166145D+01  0.101739D+01
               111           112           113           114           115 
      1  -0.166145D+01 -0.859395D+00  0.187651D+01  0.111662D+01 -0.381166D+01
      2   0.101739D+01  0.187651D+01 -0.338942D+01 -0.160239D+01  0.319549D+01
      3   0.174239D+01  0.111662D+01 -0.160239D+01 -0.167811D+01  0.381982D+01
               116           117           118           119           120 
      1   0.319549D+01  0.381982D+01 -0.334352D+00 -0.404155D+00  0.508117D+00
      2  -0.339963D+01 -0.389374D+01 -0.404155D+00 -0.212591D+01  0.479322D+00
      3  -0.389374D+01 -0.754680D+01  0.508117D+00  0.479322D+00 -0.988165D-01
               121           122           123           124           125 
      1  -0.201714D+01  0.214038D+01  0.328599D+00  0.962023D+00 -0.180163D+00
      2   0.214038D+01 -0.108728D+02  0.183311D+01 -0.180163D+00  0.332557D+01
      3   0.328599D+00  0.183311D+01 -0.141418D+01  0.799043D+00 -0.241044D+01
               126           127           128           129           130 
      1   0.799043D+00  0.330678D+00 -0.981384D+00 -0.552070D-01 -0.159990D+01
      2  -0.241044D+01 -0.981384D+00 -0.486541D+00  0.725694D-01  0.803101D+00
      3   0.501980D+00 -0.552070D-01  0.725694D-01 -0.236926D+00  0.415112D+00
               131           132           133           134           135 
      1   0.803101D+00  0.415112D+00  0.434404D-01  0.516281D+00  0.101176D+00
      2  -0.792431D+01 -0.346712D+01  0.516281D+00 -0.289869D+01 -0.222884D+01
      3  -0.346712D+01 -0.222259D+01  0.101176D+00 -0.222884D+01 -0.221470D+01
               136           137           138           139           140 
      1  -0.635374D+00 -0.245248D+01 -0.481264D+01 -0.340443D+01  0.102516D+01
      2  -0.245248D+01  0.571343D+00  0.182720D+00  0.102516D+01  0.691093D+01
      3  -0.481264D+01  0.182720D+00  0.139852D+01  0.344805D+00 -0.288045D+01
               141           142           143           144           145 
      1   0.344805D+00 -0.480456D+01  0.168560D+00  0.163060D+01  0.203977D+01
      2  -0.288045D+01  0.168560D+00 -0.147188D+01 -0.201961D+01 -0.307134D+01
      3  -0.204805D+01  0.163060D+01 -0.201961D+01  0.222381D+01 -0.423995D+01
               146           147           148           149           150 
      1  -0.307134D+01 -0.423995D+01 -0.494925D+01  0.184135D+01 -0.384405D+00
      2   0.487125D-01 -0.286452D+00  0.184135D+01  0.787140D+01 -0.101084D+01
      3  -0.286452D+00  0.134034D+01 -0.384405D+00 -0.101084D+01 -0.213014D+01
               151           152           153           154           155 
      1  -0.570396D+01 -0.207351D+00  0.230781D+01 -0.710863D+01  0.468333D+01
      2  -0.207351D+00 -0.148226D+01 -0.160173D+01  0.468333D+01 -0.432918D+01
      3   0.230781D+01 -0.160173D+01  0.471673D+01  0.761596D-01  0.274027D+00
               156           157           158           159           160 
      1   0.761596D-01  0.333494D+01 -0.360687D+01  0.412438D+00  0.323841D+00
      2   0.274027D+00 -0.360687D+01  0.434524D+01  0.686641D-01  0.306204D+00
      3  -0.671594D+00  0.412438D+00  0.686641D-01  0.347822D+00 -0.939179D+00
               161           162           163           164           165 
      1   0.306204D+00 -0.939179D+00 -0.412271D+01 -0.360126D+00 -0.341545D+01
      2   0.264198D+00  0.926062D+00 -0.360126D+00 -0.528660D+00 -0.154309D+00
      3   0.926062D+00 -0.197400D+00 -0.341545D+01 -0.154309D+00 -0.431443D+01
               166           167           168           169           170 
      1  -0.971208D+00 -0.656977D+00 -0.706141D+00 -0.272227D+01 -0.233771D+00
      2  -0.656977D+00 -0.423973D+00 -0.714216D+00 -0.233771D+00 -0.476072D+00
      3  -0.706141D+00 -0.714216D+00 -0.715147D+00 -0.352038D+01 -0.289354D-01
               171           172           173           174           175 
      1  -0.352038D+01  0.316381D+01  0.169945D+01 -0.285652D+01  0.121200D+01
      2  -0.289354D-01  0.169945D+01  0.196168D+01 -0.223452D+01  0.147169D+01
      3  -0.650831D+01 -0.285652D+01 -0.223452D+01  0.357125D+01 -0.170092D+01
               176           177           178           179           180 
      1   0.147169D+01 -0.170092D+01 -0.135276D+01 -0.942577D+00  0.155776D+01
      2   0.243226D+01 -0.206937D+01 -0.942577D+00 -0.110361D+01  0.179884D+01
      3  -0.206937D+01  0.265105D+01  0.155776D+01  0.179884D+01 -0.417573D+01
               181           182           183           184           185 
      1   0.462510D+01  0.105561D+01  0.152842D+01  0.162034D+01  0.588201D+00
      2   0.105561D+01  0.926726D+00 -0.257077D+00  0.588201D+00 -0.180055D+00
      3   0.152842D+01 -0.257077D+00  0.309207D+01 -0.200810D-01  0.593714D+00
               186           187           188           189           190 
      1  -0.200810D-01  0.182353D+01  0.880861D-01  0.159688D+01 -0.403715D+00
      2   0.593714D+00  0.880861D-01  0.615407D+00  0.556153D+00 -0.842432D+00
      3   0.133570D+01  0.159688D+01  0.556153D+00  0.221948D+01  0.953167D+00
               191           192           193           194           195 
      1  -0.842432D+00  0.953167D+00 -0.103421D+01 -0.113986D+01  0.440270D+00
      2  -0.427681D+00  0.157422D+00 -0.113986D+01 -0.854397D+01  0.349163D+01
      3   0.157422D+00 -0.494559D+00  0.440270D+00  0.349163D+01 -0.275319D+01
               196           197           198           199           200 
      1   0.375429D+00  0.618599D-01 -0.333122D+00 -0.479511D+01  0.838191D+00
      2   0.618599D-01  0.100384D+01 -0.118863D+01  0.838191D+00 -0.105551D+01
      3  -0.333122D+00 -0.118863D+01  0.103300D+01  0.384127D+01 -0.358948D+00
               201           202           203           204           205 
      1   0.384127D+01  0.200209D+01 -0.106133D+01 -0.133860D+01  0.245004D+01
      2  -0.358948D+00 -0.106133D+01  0.207668D+00  0.121558D+01 -0.446104D+00
      3  -0.419025D+01 -0.133860D+01  0.121558D+01  0.211742D+01 -0.273850D+01
               206           207           208           209           210 
      1  -0.446104D+00 -0.273850D+01 -0.118219D+01  0.481485D+00 -0.111273D+01
      2   0.720789D+00  0.676769D+00  0.481485D+00 -0.521550D-01 -0.121907D-01
      3   0.676769D+00  0.400251D+01 -0.111273D+01 -0.121907D-01 -0.150199D+01
               211           212           213           214           215 
      1   0.118296D+01 -0.337150D+00  0.158001D+00 -0.235070D+01 -0.506518D+00
      2  -0.337150D+00 -0.363810D+00 -0.745923D+00 -0.506518D+00 -0.108002D+01
      3   0.158001D+00 -0.745923D+00  0.829291D+00 -0.252288D+01  0.282686D+00
               216           217           218           219           220 
      1  -0.252288D+01 -0.886156D+01  0.635563D+00  0.225677D+01  0.381094D+01
      2   0.282686D+00  0.635563D+00 -0.945774D+00 -0.294649D+00 -0.139681D+01
      3  -0.680469D+01  0.225677D+01 -0.294649D+00 -0.147111D+01 -0.638634D+00
               221           222           223           224           225 
      1  -0.139681D+01 -0.638634D+00  0.490837D+01 -0.607207D-01 -0.216208D+01
      2   0.507946D-01  0.556146D+00 -0.607207D-01  0.905384D+00  0.403551D+00
      3   0.556146D+00  0.902739D+00 -0.216208D+01  0.403551D+00  0.134707D+01
               226           227           228           229           230 
      1  -0.963426D+00 -0.782434D+00  0.363452D+00 -0.236489D+01 -0.324129D+01
      2  -0.782434D+00 -0.188741D+00  0.642086D-01 -0.324129D+01 -0.966226D+01
      3   0.363452D+00  0.642086D-01 -0.418857D-01 -0.127851D+00  0.247232D+00
               231           232           233           234 
      1  -0.127851D+00  0.936296D+00  0.348634D+00 -0.675694D+00
      2   0.247232D+00  0.348634D+00  0.875542D+00 -0.913863D+00
      3  -0.950532D+00 -0.675694D+00 -0.913863D+00 -0.138498D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.146541D+01  0.123086D+01  0.131798D+00  0.281323D+01  0.102033D+02
      2   0.195146D+01 -0.200940D+01 -0.214612D+01  0.603031D+00  0.957432D+01
      3  -0.279674D+01 -0.507223D+01  0.180529D+01  0.162743D+01 -0.460955D+02
                 6             7             8             9            10 
      1  -0.136317D+01  0.134351D+01  0.502341D+01  0.225475D+00 -0.664286D+00
      2   0.121271D+02 -0.947187D+01  0.144478D+02  0.166474D+02 -0.822055D+00
      3  -0.133696D+02  0.144470D+01 -0.110324D+02 -0.144912D+02  0.406151D+01
                11            12            13            14            15 
      1  -0.765542D+01 -0.420404D+01 -0.365588D+01 -0.182717D+02  0.230325D+00
      2   0.275521D+01  0.228552D+01  0.160232D+00 -0.520005D+01 -0.176516D+01
      3  -0.534566D+01 -0.352701D+01  0.420045D+01  0.961101D+01  0.663506D+01
                16            17            18            19            20 
      1  -0.643430D+01  0.187532D+02  0.146552D+02 -0.154217D+01 -0.211532D+01
      2  -0.565197D+00 -0.247316D+01 -0.539307D+01 -0.158179D+01  0.616761D+01
      3  -0.142250D+01  0.110277D+02  0.116130D+02  0.105463D+02 -0.712617D+01
                21            22            23            24            25 
      1  -0.205533D+00 -0.216372D+01 -0.126900D+02 -0.292227D+01 -0.272335D+01
      2   0.153143D+01  0.445780D+01 -0.110901D+02 -0.135419D+02 -0.573826D+01
      3  -0.453151D+01  0.286310D+01  0.454019D+02  0.146320D+02 -0.309381D+01
                26            27            28            29            30 
      1   0.479550D+01  0.262685D+01 -0.117705D+01 -0.636788D+01 -0.527008D+01
      2  -0.110844D+02 -0.176345D+02 -0.549075D+01 -0.964632D+01 -0.634021D+01
      3   0.150812D+02  0.115900D+02  0.115800D+02 -0.177429D+01  0.108413D+02
                31            32            33            34            35 
      1  -0.313381D+01 -0.728374D+01  0.273560D+01 -0.118607D+02  0.154705D+02
      2  -0.909485D+01 -0.274868D+01  0.435598D+01 -0.175608D+02  0.148431D+02
      3   0.152246D+02 -0.324500D+02  0.580243D+01  0.110282D+02  0.108935D+02
                36            37            38            39            40 
      1   0.104810D+02 -0.122075D+01  0.560367D+00  0.577725D+01 -0.487318D+01
      2   0.155348D+02  0.990357D+01  0.296862D+01  0.317525D+01 -0.354744D+01
      3  -0.443832D+01 -0.153121D+02 -0.797437D+01 -0.106730D+01  0.815740D+01
                41            42            43            44            45 
      1   0.129807D+01 -0.120189D+02  0.874073D+01 -0.238099D+00  0.546294D+01
      2   0.244886D+01 -0.563973D+01 -0.105510D+02 -0.451690D+01  0.486276D+01
      3   0.312961D+01  0.339771D+01  0.583939D+01 -0.397462D+00 -0.677736D+01
                46            47            48            49            50 
      1   0.497667D+01 -0.664047D+00 -0.249299D+01 -0.978092D+00 -0.173537D+01
      2  -0.150030D+02 -0.297271D+01  0.685170D+01  0.120705D+01 -0.184133D+01
      3   0.138968D+02 -0.592808D+01 -0.202603D+01 -0.347274D+01 -0.179762D+02
                51            52            53            54            55 
      1  -0.153452D+01 -0.305257D+01  0.759059D+01 -0.317599D+01  0.317464D+01
      2  -0.715027D+00  0.641669D+00 -0.396940D+01  0.760461D+01  0.293832D+01
      3   0.241124D+01 -0.866130D+01  0.317898D+01  0.563933D+01 -0.472545D+01
                56            57            58            59            60 
      1   0.264228D+01  0.681766D+01  0.317889D+01  0.442649D+01 -0.697417D+01
      2   0.171321D+01  0.425099D+01  0.172181D+01  0.308655D+01 -0.426724D+01
      3  -0.548122D+01 -0.380904D+01  0.395012D+01  0.133648D+02 -0.600113D+01
                61            62            63            64            65 
      1   0.478815D+01  0.178322D+00 -0.985223D+01 -0.295376D+01  0.306474D+01
      2  -0.205379D+01 -0.246076D+01 -0.526501D+01 -0.548255D+00 -0.439159D+01
      3  -0.556095D+01 -0.754039D+01 -0.145284D+01  0.266652D+01 -0.422261D+01
                66            67            68            69            70 
      1  -0.135693D+02  0.650179D+01 -0.213440D+01  0.839947D+01 -0.112436D+02
      2   0.108694D+02 -0.557691D+00 -0.474069D+01  0.155660D+02  0.330175D+01
      3   0.718068D+01 -0.235473D+01 -0.222257D+01 -0.151497D+01  0.524743D+01
                71            72            73            74            75 
      1   0.852713D+01  0.237725D+01 -0.227599D+01  0.274442D+00 -0.294392D+01
      2   0.965136D+01  0.494952D+01 -0.425633D+00  0.128339D+01  0.580778D+01
      3   0.265179D+00  0.105329D+01  0.554314D+01 -0.199731D+01  0.149882D+01
                76            77            78            79            80 
      1  -0.487658D+00 -0.668923D+00 -0.123289D+01 -0.167052D+01  0.276448D+01
      2  -0.870121D-01  0.305546D+01  0.289198D+01  0.370987D+00 -0.159012D+01
      3   0.139035D+01 -0.234104D+01 -0.159699D+01  0.155830D+01 -0.426310D+01
                81            82            83            84            85 
      1  -0.114909D+01  0.166763D+01  0.278646D+01 -0.184791D-01  0.358274D+00
      2   0.106656D+01 -0.781142D+00 -0.268254D+00  0.156928D+01 -0.125639D+01
      3   0.151670D+01  0.213995D+01  0.125761D+01 -0.693002D+00  0.738353D+01
                86            87            88            89            90 
      1   0.138382D+02 -0.624345D+01  0.711870D+00 -0.809562D+01  0.243549D+01
      2   0.180958D+01  0.629429D+00 -0.569999D+00  0.715411D+00  0.374273D+00
      3  -0.577412D+01 -0.441527D+00 -0.280517D+01 -0.372675D+00 -0.197472D+01
                91            92            93            94            95 
      1  -0.316573D+01  0.202212D+01  0.440413D+01  0.347323D+00 -0.383261D+00
      2   0.231860D+01 -0.128528D+01 -0.943961D+00 -0.880371D+00  0.249021D+01
      3  -0.471003D+01  0.599966D+00  0.431838D+01  0.241358D+01 -0.440508D+01
                96            97            98            99           100 
      1  -0.293894D+01  0.357506D+01 -0.492436D+01 -0.180006D+02  0.400378D+01
      2   0.735461D+00 -0.568226D+01  0.284553D+01  0.429561D+01  0.795131D+01
      3  -0.292780D+01  0.825687D+01 -0.696428D+01 -0.781658D+01 -0.131613D+02
               101           102           103           104           105 
      1   0.944901D+00  0.266346D+01  0.889083D+00  0.123427D+01 -0.128036D+00
      2   0.317230D+00  0.801064D+01  0.208222D+01  0.143082D+01  0.217872D+01
      3  -0.548654D+01 -0.409493D+01 -0.363843D+01 -0.274191D+01 -0.236965D+01
               106           107           108           109           110 
      1   0.288718D+01  0.648744D+00  0.132887D+01 -0.260739D+01  0.183784D+01
      2   0.528197D+01  0.328808D-02  0.468050D+01 -0.331959D+01  0.267740D+01
      3  -0.543234D+01 -0.362435D+01 -0.226589D+01 -0.717134D+00 -0.195979D+01
               111           112           113           114           115 
      1   0.355326D+01  0.195942D+01 -0.908816D+00 -0.375082D+01  0.686772D+01
      2   0.551946D+01  0.287022D+01 -0.413226D+01 -0.500339D+01  0.723081D+01
      3  -0.140596D+01 -0.271494D+01  0.791891D+01  0.296155D+01 -0.229983D+01
               116           117           118           119           120 
      1  -0.498447D+01 -0.133112D+02  0.424515D+00  0.234097D+01 -0.432354D+00
      2  -0.985615D+01 -0.216784D+02  0.145456D+01  0.237576D+01  0.455973D+00
      3   0.567774D+01  0.561321D+01  0.216100D+01  0.618875D+01 -0.264241D+01
               121           122           123           124           125 
      1  -0.913356D+00  0.686568D+01 -0.566993D+01  0.167169D+01 -0.496091D+01
      2   0.127970D+01  0.517178D+01 -0.432060D+01  0.757119D+00 -0.596566D+01
      3  -0.575705D+00  0.308387D+02 -0.639494D+01 -0.206078D+01 -0.108022D+02
               126           127           128           129           130 
      1   0.185814D+01  0.125895D+01 -0.297655D+00 -0.194277D+00 -0.557834D+00
      2   0.190998D+01  0.943913D+00 -0.851743D+00  0.120690D+01 -0.297848D+01
      3   0.580699D+01 -0.593196D+00 -0.576559D+00 -0.328850D+00  0.601206D+01
               131           132           133           134           135 
      1   0.584845D+01 -0.257771D+01 -0.224320D+00  0.341968D+01 -0.864241D+00
      2   0.898385D+00  0.218653D+00 -0.240683D+01  0.487078D-01 -0.594331D+00
      3   0.251247D+00 -0.114768D+00  0.933384D+00  0.505960D+00  0.129472D+00
               136           137           138           139           140 
      1  -0.123430D+02  0.547185D+00  0.243238D+01  0.326306D+01  0.140590D+02
      2   0.122983D+02  0.534656D+01  0.117773D+02  0.678141D+01  0.173288D+01
      3  -0.364184D+01  0.544274D+00  0.529745D+01  0.679941D+01  0.971912D+01
               141           142           143           144           145 
      1  -0.131909D+02  0.108817D+01 -0.427622D+01 -0.309830D+01 -0.337428D+01
      2   0.154836D+01  0.706937D+01  0.358175D+01 -0.497019D+01  0.137701D+02
      3  -0.466154D+01  0.437175D+01 -0.265101D+01 -0.407333D+01 -0.150682D+02
               146           147           148           149           150 
      1   0.128206D+00  0.273222D+01 -0.743988D+00 -0.384504D+01 -0.393866D+01
      2  -0.103881D+01 -0.578319D+01 -0.315779D+01  0.279773D+01  0.583666D+01
      3   0.340261D+01  0.428194D+01  0.142198D+02  0.240977D+02 -0.242481D+01
               151           152           153           154           155 
      1   0.487479D+01  0.730677D+00  0.855408D+01 -0.133566D+01  0.718191D+00
      2  -0.160818D+02  0.401328D+01 -0.176773D+02 -0.127827D+01  0.904623D+00
      3   0.573957D+01 -0.325945D+01 -0.816289D+01 -0.739630D+01 -0.185654D+01
               156           157           158           159           160 
      1   0.292535D+01  0.437091D+00 -0.161399D+01 -0.332892D+01  0.134563D+01
      2   0.381173D+01  0.248744D+00 -0.108965D+01 -0.218613D+01 -0.786740D-01
      3   0.194409D+00  0.452168D+01  0.758131D+00  0.680606D+00  0.545987D+00
               161           162           163           164           165 
      1  -0.322637D+00  0.402286D+00  0.395531D+01  0.422848D+01  0.439411D+01
      2  -0.789503D+00  0.147765D+00 -0.111205D+02 -0.174388D+01 -0.393508D+01
      3   0.125971D+01 -0.291517D+00 -0.337874D+01 -0.307237D+01 -0.246444D+01
               166           167           168           169           170 
      1   0.197795D+01  0.190454D+01  0.303473D+00  0.369248D+01  0.342718D+01
      2  -0.280045D+01 -0.103229D+01 -0.183445D+01 -0.779405D+01 -0.137878D+01
      3   0.550232D+00 -0.664505D-01 -0.437173D+00 -0.146085D+01 -0.190664D+01
               171           172           173           174           175 
      1   0.385377D+01 -0.171770D+01 -0.467297D+01  0.557856D+00 -0.248233D+01
      2  -0.338823D+01  0.962951D+01  0.382262D+01 -0.437227D+01  0.442120D+01
      3  -0.161336D+01  0.462440D+01  0.514696D+00 -0.255899D+01  0.423440D+01
               176           177           178           179           180 
      1  -0.361096D+01 -0.205951D+00  0.109068D+01  0.287171D+01 -0.535914D+00
      2   0.373967D+01 -0.419332D+01 -0.540163D+01 -0.329318D+01  0.386051D+01
      3   0.875265D+00 -0.218647D+01 -0.264175D+01 -0.142629D+00  0.227298D+01
               181           182           183           184           185 
      1   0.653215D+01  0.410332D+01  0.113161D+01  0.329148D+01  0.139380D+01
      2  -0.191373D+02 -0.466456D+01 -0.336690D+01 -0.610325D+01 -0.239418D+01
      3  -0.268827D+01 -0.165887D+01 -0.112709D+01  0.937480D+00 -0.359832D+00
               186           187           188           189           190 
      1   0.102365D+01  0.229363D+01  0.281503D+01  0.242136D+01 -0.350413D+00
      2  -0.453005D+00 -0.734905D+01 -0.106224D+01 -0.472038D+01 -0.808296D+00
      3   0.128152D+00 -0.708010D+00 -0.836437D+00 -0.672229D+00 -0.752705D+00
               191           192           193           194           195 
      1  -0.799460D+00 -0.619547D+00 -0.187464D+01 -0.164769D+02  0.998362D+00
      2   0.105085D+01 -0.369306D+00  0.288087D+01 -0.239633D+01  0.299034D+01
      3  -0.662678D+00 -0.571003D+00  0.302047D+01 -0.103582D+02  0.421369D+01
               196           197           198           199           200 
      1  -0.195056D-01  0.318225D+01 -0.150870D+01  0.587454D+01 -0.472345D+01
      2  -0.160042D+01  0.670178D+00 -0.589422D+00  0.602892D+01 -0.187651D+01
      3  -0.555534D+00  0.117983D+01 -0.107459D+01  0.467061D+01 -0.443036D+01
               201           202           203           204           205 
      1  -0.451734D+01 -0.310186D+01  0.239876D+01  0.326616D+01 -0.365372D+01
      2   0.317126D+00 -0.305063D+01 -0.454204D-01 -0.128399D+01 -0.504892D+01
      3  -0.388527D+01 -0.168242D+01  0.186395D+01  0.262776D+01 -0.259823D+01
               206           207           208           209           210 
      1   0.384259D+01  0.508992D+01 -0.186915D+01  0.180054D+00 -0.133203D+01
      2   0.201608D+00 -0.152487D+00  0.252899D+01  0.848662D+00  0.428647D+01
      3   0.231473D+01  0.343710D+01  0.233495D+01 -0.115251D+01  0.101311D+01
               211           212           213           214           215 
      1  -0.924220D-01 -0.873200D+00  0.115249D+01 -0.159452D+01  0.424547D+01
      2   0.153279D+01  0.229994D+01 -0.356215D+01  0.195816D+01 -0.271376D+01
      3  -0.740956D+00 -0.180391D+00 -0.218210D+01  0.730789D+00 -0.392710D+01
               216           217           218           219           220 
      1  -0.886513D+01  0.252474D+01 -0.690243D+00 -0.154516D+01 -0.613196D+00
      2   0.211899D+02 -0.993541D+01  0.135138D+01  0.912224D+01  0.330123D+01
      3   0.422145D+01  0.126486D+02 -0.662605D+01 -0.368466D+01 -0.624561D+01
               221           222           223           224           225 
      1   0.869742D+00 -0.266544D+00 -0.229916D+01  0.113774D+01  0.709906D+00
      2  -0.217421D+01 -0.396812D+01  0.688482D+01 -0.125274D+01 -0.557849D+01
      3   0.249267D+01  0.234193D+01 -0.550687D+01  0.435473D+01  0.386563D+01
               226           227           228           229           230 
      1   0.738981D+00  0.376045D+00 -0.176085D+00  0.440855D+00  0.374462D+01
      2  -0.125207D+01 -0.422608D+00  0.139865D+01 -0.339322D-01 -0.165095D+01
      3  -0.160499D+01 -0.154877D+01 -0.428385D+00 -0.280015D+01 -0.256800D+02
               231           232           233           234 
      1  -0.481455D+01 -0.521641D+00 -0.176877D+00  0.293371D+00
      2   0.365553D+01  0.117752D+01  0.171295D+01  0.302201D+00
      3   0.100680D+01 -0.888482D+00  0.198079D+01 -0.165427D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.165508D+02  0.412688D+01 -0.312190D+01  0.734668D+01 -0.291754D+02
      2   0.116877D+02 -0.146156D+01  0.307492D+01  0.111101D+01  0.347714D+02
      3   0.486307D+01 -0.266532D+01  0.469840D-01 -0.845769D+01 -0.559604D+01
      4  -0.789801D+01  0.236391D+01 -0.123027D+02 -0.380160D+01  0.540050D+02
      5  -0.190251D+02 -0.798841D+01 -0.499238D+01 -0.138991D+02  0.430997D+01
      6  -0.559620D+01 -0.886352D+01 -0.636500D+01 -0.577722D+01  0.637215D+01
                 6             7             8             9            10 
      1  -0.145845D+02 -0.477400D+01 -0.151692D+02 -0.196730D+02  0.290302D+01
      2   0.105207D+02  0.297833D+01  0.184769D+01  0.302375D+01  0.144897D+01
      3   0.406382D+01  0.179567D+01  0.133215D+02  0.166492D+02 -0.435200D+01
      4   0.410270D+01 -0.212074D+02  0.340848D+01  0.110643D+02 -0.226280D+01
      5   0.593293D+01 -0.557797D+01  0.668284D+01  0.999311D+01  0.287091D+01
      6   0.786402D+01 -0.412223D+01  0.122564D+02  0.623602D+01  0.823937D+00
                11            12            13            14            15 
      1  -0.543637D+01 -0.109695D+02  0.227083D+01  0.455629D+02  0.356159D+01
      2  -0.424738D+01  0.109271D+02 -0.684999D+01 -0.669788D+02  0.688507D+01
      3   0.968375D+01  0.424384D-01  0.457916D+01  0.214159D+02 -0.104467D+02
      4   0.168133D+01  0.362732D+01  0.102158D+02 -0.197563D+02  0.448237D+01
      5   0.686649D+00 -0.313400D+01  0.376753D+01 -0.190863D+00  0.299733D+01
      6   0.173583D+02  0.142899D+02  0.707297D+01  0.575780D+01 -0.639056D+01
                16            17            18            19            20 
      1  -0.115470D+02 -0.139963D+01  0.227907D+02  0.185757D+02 -0.167754D+00
      2   0.582685D+01  0.258375D+02 -0.853645D+01 -0.152383D+02 -0.250029D+01
      3   0.572020D+01 -0.244379D+02 -0.142542D+02 -0.333738D+01  0.266805D+01
      4   0.419298D+01  0.778996D+01  0.501169D+01 -0.416072D+01  0.598957D+01
      5   0.819116D-01  0.680888D+01  0.765214D+01  0.309811D+01  0.883506D+01
      6   0.141030D+02 -0.233226D+02 -0.293030D+02 -0.244742D+01 -0.633877D+01
                21            22            23            24            25 
      1   0.563218D+01  0.275211D+01  0.111712D+02  0.132254D+02 -0.231633D+01
      2  -0.437881D+01 -0.305569D+01 -0.680799D+01 -0.318599D+01 -0.179711D+01
      3  -0.125337D+01  0.303579D+00 -0.436324D+01 -0.100394D+02  0.411344D+01
      4   0.620670D+01  0.581155D+00 -0.564335D+02 -0.158124D+02 -0.160645D+01
      5   0.606559D+01  0.715528D+01 -0.104843D+02 -0.123193D+02  0.162088D+02
      6  -0.101037D+01 -0.110587D+01 -0.749935D+01 -0.121907D+01 -0.125895D+01
                26            27            28            29            30 
      1   0.104574D+02  0.125489D+02 -0.362740D+02 -0.126893D+01 -0.165233D+02
      2  -0.104665D+02 -0.136521D+02  0.281241D+02 -0.748497D+01  0.103867D+02
      3   0.912222D-02  0.110319D+01  0.814992D+01  0.875389D+01  0.613659D+01
      4  -0.185746D+02 -0.134356D+02 -0.205529D+01  0.204229D+01 -0.116294D+02
      5  -0.105330D+02 -0.138175D+02 -0.117204D+02 -0.158668D+02 -0.176641D+02
      6   0.502598D+01 -0.531198D+01  0.131644D+01  0.947535D+01  0.802115D+01
                31            32            33            34            35 
      1  -0.171639D+02  0.131881D+02 -0.183333D+02 -0.196875D+02 -0.226999D+02
      2   0.791630D+01 -0.278392D+02  0.182398D+02  0.649569D+01  0.286900D+02
      3   0.924755D+01  0.146511D+02  0.935730D-01  0.131918D+02 -0.599006D+01
      4  -0.463579D+01  0.415965D+02  0.194001D+01 -0.141568D+02  0.115157D+01
      5  -0.153090D+02 -0.487331D+01  0.110913D+02 -0.302204D+02  0.277228D+02
      6   0.215087D+01  0.138873D+02 -0.900445D+01  0.150985D+02 -0.201164D+02
                36            37            38            39            40 
      1  -0.150194D+02 -0.158581D+02 -0.406287D+01  0.151125D+01 -0.151805D+02
      2   0.113315D+02  0.115457D+02  0.328149D+01 -0.302120D+01  0.106597D+01
      3   0.368788D+01  0.431243D+01  0.781379D+00  0.150995D+01  0.141145D+02
      4   0.242787D+02  0.614831D+01  0.121304D+01  0.445326D+01  0.217232D+01
      5   0.334154D+02  0.449271D+01 -0.707268D+00 -0.166285D+01 -0.985515D+00
      6  -0.192777D+02  0.699810D+01 -0.661782D+00  0.446388D+01  0.570647D-01
                41            42            43            44            45 
      1   0.224864D+02  0.341027D+01  0.121577D+02  0.127026D+02  0.428890D+00
      2  -0.129622D+02 -0.107360D+02 -0.360466D+01 -0.152288D+02  0.520774D+01
      3  -0.952416D+01  0.732570D+01 -0.855306D+01  0.252619D+01 -0.563663D+01
      4  -0.948390D+01 -0.148204D+01  0.969606D+01  0.114093D+00  0.110250D+01
      5   0.127417D+01  0.569440D+01 -0.729269D+01  0.728649D+00 -0.135029D+01
      6  -0.139591D+02 -0.197810D+02 -0.727270D+00 -0.109757D+02  0.370530D+01
                46            47            48            49            50 
      1   0.150075D+01 -0.989514D+01 -0.158933D+02 -0.116405D+02 -0.602368D+01
      2  -0.886629D+01  0.271139D+01  0.123388D+02  0.970484D+01  0.551078D+01
      3   0.736554D+01  0.718375D+01  0.355447D+01  0.193562D+01  0.512895D+00
      4  -0.171726D+02  0.369577D+01 -0.995401D+01  0.594731D+01  0.207101D+02
      5  -0.198728D+02 -0.512766D+01  0.923647D+01  0.153035D+01 -0.672824D+01
      6  -0.108028D+02  0.903641D-01  0.107497D+01 -0.144219D+01 -0.480157D+01
                51            52            53            54            55 
      1  -0.605451D+01 -0.229906D+02 -0.862521D+01  0.115642D+02 -0.105332D+02
      2  -0.341062D+01  0.123792D+02  0.368617D+01 -0.579535D+01 -0.517561D+01
      3   0.946513D+01  0.106114D+02  0.493903D+01 -0.576888D+01  0.157088D+02
      4  -0.880776D+01 -0.845814D+01 -0.103545D+02  0.219996D+01  0.242586D+02
      5  -0.532385D+01  0.125192D+02 -0.103927D+01  0.458599D+01  0.468317D+00
      6   0.964081D+01  0.587077D+01 -0.846031D+00  0.356276D+01  0.210873D+01
                56            57            58            59            60 
      1   0.982479D+01  0.365182D+01  0.294654D+01 -0.135739D+02  0.289088D+01
      2   0.477704D+01 -0.113811D+02  0.482430D+01  0.927641D+01  0.458028D+00
      3  -0.146018D+02  0.772932D+01 -0.777083D+01  0.429754D+01 -0.334891D+01
      4  -0.255820D+02  0.203046D+01 -0.240518D+02  0.672942D+01  0.356693D+01
      5   0.238308D+01  0.101906D+01 -0.258140D+01  0.275824D+01  0.404461D+00
      6  -0.106519D+02 -0.727465D+01 -0.623643D+01  0.391896D+01 -0.824506D+00
                61            62            63            64            65 
      1   0.737686D+00  0.620239D+01  0.163853D+01  0.847194D+01  0.838673D+01
      2  -0.531882D+01 -0.780442D+01  0.898433D+01  0.744800D+01  0.183151D+01
      3   0.458113D+01  0.160203D+01 -0.106229D+02 -0.159199D+02 -0.102182D+02
      4   0.539553D+01  0.600641D+01 -0.782892D+01 -0.465716D+01 -0.384057D+00
      5   0.335437D+01 -0.195902D+01 -0.136846D+01 -0.396737D+01  0.404204D+01
      6  -0.534621D+01  0.650098D+01  0.813871D+01  0.772045D+01  0.157698D+02
                66            67            68            69            70 
      1  -0.336483D+01  0.147172D+02 -0.247915D+01 -0.157751D+01  0.195792D+01
      2   0.161169D+02  0.397471D+01 -0.318596D+01 -0.226000D+01  0.114789D+02
      3  -0.127521D+02 -0.186919D+02  0.566511D+01  0.383751D+01 -0.134368D+02
      4   0.338604D+01  0.259808D+01 -0.256853D+01  0.922112D+01 -0.293831D+01
      5  -0.198200D+02  0.124208D+01  0.597610D+01 -0.148276D+02 -0.145051D+02
      6  -0.111788D+02  0.139212D+02 -0.561526D+01  0.569839D+01 -0.514523D+01
                71            72            73            74            75 
      1  -0.738444D+01 -0.448103D+01  0.359388D+02  0.101572D+02  0.112369D+02
      2   0.529564D+01 -0.110146D+01 -0.202360D+02 -0.484962D+01 -0.961610D+01
      3   0.208880D+01  0.558250D+01 -0.157028D+02 -0.530761D+01 -0.162078D+01
      4   0.599091D+01 -0.246746D+00  0.283168D+02  0.151248D+02  0.126564D+02
      5  -0.635144D+01 -0.561238D+01  0.249155D+02  0.986300D+01  0.174448D+02
      6  -0.205162D+00  0.146002D+01  0.855672D+01  0.536440D+01  0.594199D+01
                76            77            78            79            80 
      1   0.445875D+01  0.496787D+00 -0.451849D+00  0.126614D+02  0.377659D+01
      2  -0.747973D+00  0.257392D+01  0.301627D+00 -0.861723D+01  0.369050D+00
      3  -0.371077D+01 -0.307071D+01  0.150222D+00 -0.404417D+01 -0.414564D+01
      4   0.139203D+02  0.125281D+02  0.936561D+01  0.146801D+02  0.134774D+02
      5   0.678248D+01  0.835766D+01  0.701793D+01  0.158419D+02  0.549919D+01
      6   0.543058D+01  0.686251D+01  0.587411D+01  0.624925D+01  0.526108D+01
                81            82            83            84            85 
      1   0.586410D+01 -0.150858D+01 -0.533754D+01  0.333721D+00 -0.247039D+01
      2  -0.554808D+01  0.725748D+01  0.132987D+02 -0.637475D+00  0.778574D+01
      3  -0.316024D+00 -0.574890D+01 -0.796112D+01  0.303755D+00 -0.531535D+01
      4   0.828541D+01  0.593425D+01  0.150586D+02 -0.125773D+01  0.754867D+01
      5   0.107645D+02 -0.382090D+00  0.741832D+00  0.251365D+01  0.378911D-03
      6   0.528379D+01 -0.134964D+01 -0.133342D+01 -0.307148D+00 -0.350602D+00
                86            87            88            89            90 
      1  -0.493778D+02  0.245149D+01  0.165422D+01  0.131518D+02 -0.810072D+01
      2   0.883212D+02 -0.648279D+01 -0.220554D+01 -0.260763D+02  0.874911D+01
      3  -0.389435D+02  0.403130D+01  0.551326D+00  0.129245D+02 -0.648389D+00
      4   0.214500D+02 -0.209727D+01 -0.279784D+01 -0.630075D+01  0.210805D+01
      5   0.358482D+00  0.507658D+00  0.169611D+01  0.757454D+00 -0.168180D+01
      6  -0.581797D+01  0.804390D+01 -0.726621D+00  0.153902D+02 -0.174805D+01
                91            92            93            94            95 
      1  -0.238023D+01  0.374163D+01  0.571239D+01  0.182110D+01 -0.155569D+02
      2  -0.141478D+01 -0.171173D+01 -0.251893D+01 -0.169558D+01  0.167121D+02
      3   0.379501D+01 -0.202990D+01 -0.319347D+01 -0.125519D+00 -0.115520D+01
      4  -0.342644D+01  0.569915D+01  0.512665D+01  0.116435D+01  0.824060D+00
      5  -0.329310D+01  0.368774D+01  0.723994D+01  0.772620D+00 -0.940437D+00
      6   0.639682D+01 -0.738326D+01 -0.898385D+01 -0.365102D+01  0.117827D+02
                96            97            98            99           100 
      1  -0.888826D+01  0.795025D+01 -0.188075D+02 -0.290397D+02  0.708477D+02
      2   0.636938D+01 -0.145238D+01  0.694458D+01  0.244796D+01 -0.391141D+02
      3   0.251888D+01 -0.649787D+01  0.118629D+02  0.265918D+02 -0.317336D+02
      4  -0.132149D+01  0.347898D+01 -0.193757D+01 -0.234643D+01 -0.110561D+02
      5  -0.137377D+01  0.556471D+01 -0.344952D+01 -0.491326D+01  0.172229D+02
      6   0.138318D+02 -0.872595D+01  0.286322D+02  0.409680D+02 -0.549737D+01
               101           102           103           104           105 
      1   0.183329D+01  0.161909D+02  0.217285D+02  0.407955D+01  0.511365D+01
      2  -0.292689D+01 -0.983051D+01 -0.128039D+02 -0.122515D+01 -0.440267D+01
      3   0.109360D+01 -0.636037D+01 -0.892461D+01 -0.285439D+01 -0.710982D+00
      4   0.848684D+01 -0.216197D+01  0.507616D+01  0.320505D+01  0.267378D+01
      5   0.266065D+00  0.143486D+02  0.523554D+01  0.322188D+01  0.391552D+01
      6  -0.274980D+00 -0.490342D+01 -0.514293D+00 -0.100882D+01  0.766619D+00
               106           107           108           109           110 
      1   0.267285D+02  0.616696D+00  0.121772D+02  0.156188D+02 -0.580854D+01
      2  -0.166244D+02 -0.305254D+01 -0.101173D+02 -0.108209D+02  0.386296D+01
      3  -0.101041D+02  0.243585D+01 -0.205986D+01 -0.479793D+01  0.194558D+01
      4  -0.551802D+01  0.515917D+01 -0.299840D+01 -0.988507D+01  0.646536D+01
      5   0.185586D+02 -0.111933D+01  0.101203D+02 -0.128021D+02  0.821271D+01
      6  -0.448473D+01  0.250942D+01 -0.187475D+01  0.539956D+01 -0.388284D+01
               111           112           113           114           115 
      1  -0.808362D+01 -0.209334D+01 -0.418611D+00  0.188566D+01 -0.161169D+02
      2   0.567083D+01 -0.429092D+00  0.517761D+01 -0.231165D+00  0.131230D+02
      3   0.241279D+01  0.252243D+01 -0.475900D+01 -0.165450D+01  0.299389D+01
      4   0.885337D+01  0.118419D+02 -0.180697D+02 -0.101013D+02  0.216071D+02
      5   0.156559D+02  0.701944D+01 -0.908422D+01 -0.104202D+02  0.287318D+02
      6  -0.582431D+01 -0.456886D+01  0.547488D+01  0.105672D+02 -0.132884D+02
               116           117           118           119           120 
      1   0.762090D+01  0.508669D+01 -0.473637D+00 -0.958972D+01  0.418644D+01
      2  -0.673870D+01 -0.145651D+02  0.108404D+01  0.118461D+02 -0.270663D+01
      3  -0.882197D+00  0.947846D+01 -0.610407D+00 -0.225634D+01 -0.147981D+01
      4  -0.208169D+02 -0.224606D+02 -0.463008D+00 -0.255566D+01  0.355390D+00
      5  -0.246111D+02 -0.472519D+02  0.193456D+01  0.207235D+01  0.164584D+01
      6   0.180071D+02  0.260392D+02 -0.148391D+01 -0.358368D+01  0.101501D+01
               121           122           123           124           125 
      1  -0.757791D+01 -0.214229D+02  0.772797D+01  0.516332D+01  0.104072D+02
      2  -0.259741D+00  0.460393D+02 -0.102668D+02 -0.550074D+00 -0.165897D+02
      3   0.783765D+01 -0.246164D+02  0.253880D+01 -0.461325D+01  0.618248D+01
      4   0.155249D+02 -0.468047D+02  0.767092D+01 -0.356919D+01  0.142657D+02
      5   0.146861D+00  0.111411D+02 -0.862831D+01  0.710598D+01 -0.134242D+02
      6   0.279972D+01 -0.171516D+02  0.991183D+01 -0.405610D+01  0.157381D+02
               126           127           128           129           130 
      1  -0.341921D+01  0.500570D+00 -0.126174D+01 -0.455741D+00  0.590058D+00
      2   0.409363D+01  0.202599D+01  0.824455D+00  0.602965D+00 -0.153256D+01
      3  -0.674418D+00 -0.252656D+01  0.437285D+00 -0.147224D+00  0.942501D+00
      4  -0.105311D+02 -0.678678D+00  0.850589D+01  0.223909D+01  0.685292D+01
      5   0.146321D+01 -0.109641D+01  0.353137D+01  0.404014D+01  0.334098D+01
      6  -0.506818D+01  0.375131D+01  0.824485D-01  0.118901D+01 -0.330440D+01
               131           132           133           134           135 
      1  -0.229976D+02 -0.108936D+02  0.344063D+00 -0.927226D+01 -0.104508D+02
      2   0.273307D+02  0.865877D+01  0.649005D+00  0.668149D+01  0.197025D+01
      3  -0.433306D+01  0.223480D+01 -0.993068D+00  0.259077D+01  0.848055D+01
      4  -0.119998D+01 -0.134233D+01  0.184030D+01 -0.129870D+01  0.465596D+00
      5  -0.212265D+01 -0.976888D+00  0.301572D+01 -0.721454D+00 -0.231941D+01
      6   0.261780D+02  0.170684D+02 -0.949653D+00  0.156559D+02  0.115556D+02
               136           137           138           139           140 
      1   0.635179D+01  0.617654D+01  0.125142D+02  0.979427D+01  0.138926D+02
      2   0.160247D+02 -0.517372D+01 -0.113431D+02 -0.109100D+02 -0.190755D+02
      3  -0.223765D+02 -0.100282D+01 -0.117114D+01  0.111570D+01  0.518298D+01
      4   0.973129D+01  0.301892D+01  0.278319D+01  0.359513D+00 -0.162324D+02
      5   0.144399D+02 -0.752501D+01 -0.216178D+02 -0.117510D+02  0.660400D+01
      6  -0.513951D+01  0.259217D+01  0.456466D+01  0.556776D+01  0.284054D+02
               141           142           143           144           145 
      1  -0.192966D+01  0.954647D+01  0.190344D+01 -0.154329D+02 -0.186102D+02
      2   0.175069D+02 -0.895825D+01  0.972922D+01  0.184243D+01  0.151130D+02
      3  -0.155773D+02 -0.588228D+00 -0.116327D+02  0.135904D+02  0.349713D+01
      4   0.766060D+01  0.404954D+01  0.468110D+01  0.161524D+01  0.223745D+02
      5   0.952100D+01 -0.215388D+02  0.479533D+01  0.366004D+01  0.264067D+02
      6  -0.995171D+01  0.122863D+01 -0.335955D+01 -0.124695D+02  0.774355D+01
               146           147           148           149           150 
      1   0.182082D+02  0.249885D+02  0.305848D+02  0.121188D+02 -0.235735D+01
      2  -0.109243D+02 -0.112843D+02 -0.224694D+02 -0.283247D+02  0.368631D+01
      3  -0.728394D+01 -0.137041D+02 -0.811539D+01  0.162059D+02 -0.132896D+01
      4   0.242997D+01  0.448354D+01 -0.518868D+01 -0.354555D+02  0.683232D+01
      5   0.182364D+01 -0.958335D+01 -0.143553D+01  0.593015D+01  0.984774D+01
      6   0.833038D+00 -0.175137D+01  0.503828D+00 -0.116624D+01  0.259977D+01
               151           152           153           154           155 
      1   0.310767D+02 -0.179277D+01 -0.137870D+02  0.228739D+02 -0.956205D+01
      2  -0.131148D+02  0.308074D+01  0.146803D+02  0.169917D+00 -0.781263D+01
      3  -0.179619D+02 -0.128797D+01 -0.893300D+00 -0.230439D+02  0.173747D+02
      4   0.287343D+01  0.739697D+01  0.558451D+01 -0.353854D+02  0.303738D+02
      5  -0.154033D+02  0.739535D+01 -0.243498D+02  0.287455D+01 -0.271104D+01
      6  -0.404800D+01  0.399058D+01 -0.825387D+01 -0.357333D+01  0.370430D+01
               156           157           158           159           160 
      1  -0.622541D+00 -0.353515D+01 -0.438943D+00  0.899091D-01 -0.634544D+00
      2   0.105704D+01 -0.100444D+02  0.176425D+02  0.804429D+00  0.666445D+00
      3  -0.434502D+00  0.135795D+02 -0.172036D+02 -0.894338D+00 -0.319012D-01
      4  -0.108742D+01  0.244679D+02 -0.263315D+02  0.200593D+00 -0.334736D+00
      5   0.576907D+01 -0.195621D+01  0.139099D+01 -0.189344D+01  0.614932D+01
      6  -0.295025D+01  0.272255D+01 -0.334217D+01  0.515496D+01 -0.408357D+01
               161           162           163           164           165 
      1   0.172131D+00  0.306136D-01  0.229228D+01  0.135846D+01 -0.507482D+01
      2   0.147203D+01  0.481393D+00 -0.139829D+02 -0.182542D+01 -0.155211D+02
      3  -0.164416D+01 -0.512007D+00  0.116907D+02  0.466961D+00  0.205959D+02
      4  -0.442289D+00 -0.504331D+01 -0.143575D+01  0.383587D+01 -0.254373D+01
      5  -0.424778D+01  0.232973D+00  0.191656D+02  0.453905D+00  0.206326D+02
      6   0.655026D+01 -0.259310D+01 -0.396056D+01  0.252045D+01 -0.482623D+01
               166           167           168           169           170 
      1  -0.182105D+01 -0.728496D+00 -0.181321D+01 -0.336221D+01  0.845915D+00
      2  -0.223100D+01 -0.233347D+01 -0.326227D+01 -0.126042D+02 -0.131022D+01
      3   0.405205D+01  0.306197D+01  0.507548D+01  0.159664D+02  0.464306D+00
      4   0.289464D+01  0.309133D+00  0.157617D+01 -0.152833D+01  0.194168D+01
      5   0.167196D+01  0.335292D+01  0.316696D+01  0.175293D+02  0.156901D+01
      6   0.217343D+01  0.103243D+01  0.541754D+01 -0.226165D+01  0.506329D+01
               171           172           173           174           175 
      1  -0.140067D+02 -0.316492D+01 -0.647111D+01  0.925234D+01 -0.496735D+01
      2  -0.215758D+02 -0.346047D+01  0.113164D+01  0.346229D+01  0.421035D+00
      3   0.355826D+02  0.662540D+01  0.533948D+01 -0.127146D+02  0.454631D+01
      4  -0.196376D+01  0.618139D+01  0.563821D+01 -0.603763D+01  0.490209D+01
      5   0.224944D+02 -0.133896D+02 -0.699915D+01  0.146089D+02 -0.630376D+01
      6  -0.655451D+01 -0.984368D+01 -0.120162D+02  0.135771D+02 -0.892990D+01
               176           177           178           179           180 
      1  -0.937125D+01  0.974364D+01  0.425445D+01  0.724100D+01 -0.126913D+02
      2   0.697706D+01 -0.141986D+00  0.188248D+01  0.297292D+00 -0.692357D+01
      3   0.239420D+01 -0.960165D+01 -0.613694D+01 -0.753829D+01  0.196148D+02
      4   0.413670D+01 -0.404924D+01 -0.246408D+01 -0.316851D+01  0.317267D+01
      5  -0.592955D+01  0.701937D+01  0.986489D+01  0.474448D+01 -0.904648D+01
      6  -0.132858D+02  0.142453D+02  0.681027D+01  0.103288D+02 -0.151924D+02
               181           182           183           184           185 
      1  -0.448426D+01 -0.201726D+00 -0.119291D+02 -0.239740D+01 -0.324482D+01
      2  -0.498795D+01 -0.640904D+00 -0.543683D+01  0.102219D+01  0.205731D+01
      3   0.947220D+01  0.842630D+00  0.173659D+02  0.137521D+01  0.118751D+01
      4  -0.803138D+01 -0.894567D+00 -0.285218D+01 -0.650470D+00  0.367147D+00
      5   0.117312D+02  0.233011D+01  0.644022D+01  0.424153D+01  0.671737D+00
      6   0.196720D+01  0.454382D+01 -0.323604D+01  0.229758D+01 -0.511481D+00
               186           187           188           189           190 
      1  -0.335499D+01 -0.658338D+01 -0.173508D+01 -0.768837D+01 -0.848592D+00
      2  -0.397761D+01 -0.364621D+01 -0.186091D+01 -0.679501D+01  0.636598D+00
      3   0.733260D+01  0.102296D+02  0.359599D+01  0.144834D+02  0.211994D+00
      4  -0.978759D+00 -0.287513D+01  0.237591D+00 -0.242971D+01  0.240678D+01
      5  -0.116725D+01  0.938866D+01  0.754364D+00  0.532337D+01 -0.328180D+01
      6   0.289564D+01  0.242665D-01  0.350796D+01  0.106150D+01 -0.314504D+01
               191           192           193           194           195 
      1   0.152765D+01 -0.137593D+01  0.505979D-01 -0.219055D+02  0.122083D+02
      2  -0.847606D-01  0.167830D+01  0.224049D+01  0.307529D+02 -0.686387D+01
      3  -0.144289D+01 -0.302370D+00 -0.229109D+01 -0.884743D+01 -0.534440D+01
      4   0.685722D+01 -0.251353D+01  0.882137D+01  0.188305D+02 -0.715004D+01
      5  -0.319288D+01  0.556383D+01 -0.483738D+01 -0.664252D+01  0.560177D+01
      6  -0.201976D+01  0.689931D+00 -0.471834D+01 -0.366190D+02  0.205050D+02
               196           197           198           199           200 
      1  -0.444339D+00  0.501387D+01 -0.505079D+01  0.147376D+02 -0.291482D+01
      2   0.146870D+01 -0.745203D+00  0.783565D+00 -0.208854D+02  0.371017D+01
      3  -0.102437D+01 -0.426867D+01  0.426723D+01  0.614786D+01 -0.795349D+00
      4  -0.817581D+00 -0.206867D+01  0.261833D+01 -0.990233D+00  0.501665D+01
      5   0.381825D+01  0.204458D+01 -0.317870D+01 -0.294705D+02  0.465263D+01
      6   0.995098D+00  0.109242D+02 -0.702180D+01  0.332503D+01 -0.607930D+01
               201           202           203           204           205 
      1  -0.403517D+01 -0.485548D+01 -0.203559D+00  0.243053D-01 -0.238643D+01
      2   0.177525D+02  0.725760D+01 -0.108572D+01 -0.883183D+01  0.125117D+02
      3  -0.137173D+02 -0.240212D+01  0.128928D+01  0.880752D+01 -0.101253D+02
      4   0.185691D-01  0.459413D+01 -0.230009D+01 -0.454546D+01 -0.793919D+00
      5   0.276273D+02  0.113602D+02 -0.680945D+01 -0.111647D+02  0.200825D+02
      6  -0.111952D+01 -0.558351D+01  0.182319D+01  0.689753D+01 -0.187030D+01
               206           207           208           209           210 
      1   0.163253D+00 -0.253160D+01  0.806416D+01 -0.229147D+01  0.490369D+01
      2  -0.399867D+01 -0.169651D+02 -0.758238D+01  0.142563D+01 -0.579344D+01
      3   0.383542D+01  0.194967D+02 -0.481782D+00  0.865839D+00  0.889754D+00
      4  -0.263598D+01 -0.116064D+01 -0.975812D+00  0.129524D+01  0.839083D+00
      5  -0.414573D+01 -0.225986D+02  0.717897D+01 -0.702524D+00  0.133918D+02
      6   0.561376D+01  0.192756D+01  0.784293D+00  0.281222D+00  0.205869D+01
               211           212           213           214           215 
      1  -0.697142D+01 -0.118905D+01 -0.918802D+00  0.110942D+02  0.918433D+00
      2   0.458012D+01  0.167323D+01  0.175746D+01 -0.938329D+01  0.166025D+01
      3   0.239130D+01 -0.484181D+00 -0.838658D+00 -0.171093D+01 -0.257868D+01
      4   0.248989D+01  0.161908D+01  0.387819D+01  0.446601D+01  0.676713D+01
      5  -0.189546D+01  0.329798D+01 -0.458583D+01  0.193893D+02 -0.879069D+00
      6   0.706049D+00 -0.463735D-01  0.278726D+01  0.492415D+01  0.383363D+01
               216           217           218           219           220 
      1   0.402946D+01  0.650359D+02 -0.696563D+01 -0.159240D+02 -0.239368D+02
      2  -0.169080D+02 -0.352025D+02  0.502759D+01  0.892065D+01  0.138500D+02
      3   0.128786D+02 -0.298334D+02  0.193804D+01  0.700332D+01  0.100867D+02
      4   0.250865D+00 -0.326015D+00  0.855638D+01  0.709898D+00  0.104461D+02
      5   0.378860D+02 -0.160766D+02  0.178109D+01  0.131935D+02  0.525989D+01
      6   0.111833D+02 -0.349128D+01  0.429120D+00  0.317444D+01 -0.341013D-01
               221           222           223           224           225 
      1   0.576702D+01  0.439007D+01 -0.301021D+02  0.172230D+01  0.120705D+02
      2  -0.422750D+00 -0.300707D+01  0.169445D+02 -0.224865D+01 -0.986030D+01
      3  -0.534427D+01 -0.138300D+01  0.131576D+02  0.526353D+00 -0.221021D+01
      4  -0.222356D+01 -0.391629D+01 -0.735185D+00 -0.644185D+01 -0.157018D+01
      5  -0.370747D+01 -0.623817D+01  0.175173D+02 -0.228773D+01 -0.106435D+02
      6   0.489148D+00  0.613088D+00  0.272141D+01  0.666206D+00 -0.969372D+00
               226           227           228           229           230 
      1   0.572600D+01  0.502683D+01 -0.216953D+01  0.598323D+01 -0.125813D+02
      2   0.251286D-01 -0.165085D+01  0.119506D+01  0.640776D+01  0.392759D+02
      3  -0.575113D+01 -0.337598D+01  0.974468D+00 -0.123910D+02 -0.266946D+02
      4   0.485803D+01  0.895564D+01 -0.600031D+00  0.224733D+02  0.498986D+02
      5  -0.199377D+01  0.286021D+00  0.201084D+01  0.142723D+01 -0.113231D+01
      6  -0.561474D+00  0.446743D-01 -0.329873D+00  0.124139D+01  0.366898D+01
               231           232           233           234 
      1   0.121540D+01 -0.466705D+01  0.751047D+00 -0.173032D+00
      2  -0.168978D+01  0.118664D+01 -0.269000D+01  0.143214D+01
      3   0.474385D+00  0.348041D+01  0.193896D+01 -0.125911D+01
      4  -0.113871D+01 -0.247890D+01 -0.434790D+01  0.425760D+01
      5   0.620093D+01  0.468384D+01  0.461544D+01  0.968865D+00
      6   0.676161D+01  0.241907D+01  0.625755D+01 -0.655079D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.684292D-01      0.173930D+00      0.580167D+00
   x         -0.401354D-01     -0.102014D+00     -0.340282D+00
   y         -0.467110D-01     -0.118727D+00     -0.396032D+00
   z         -0.298293D-01     -0.758186D-01     -0.252904D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111426D+03      0.165117D+02      0.183717D+02
   aniso      0.156479D+02      0.231878D+01      0.257999D+01
   xx         0.117628D+03      0.174307D+02      0.193943D+02
   yx        -0.373203D+00     -0.553030D-01     -0.615329D-01
   yy         0.114130D+03      0.169123D+02      0.188175D+02
   zx         0.401355D+00      0.594747D-01      0.661746D-01
   zy         0.433345D+01      0.642151D+00      0.714489D+00
   zz         0.102521D+03      0.151920D+02      0.169034D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.119809D+03      0.177538D+02      0.197538D+02
   aniso      0.173073D+02      0.256467D+01      0.285358D+01
   xx         0.126564D+03      0.187549D+02      0.208676D+02
   yx        -0.650364D+00     -0.963740D-01     -0.107231D+00
   yy         0.122888D+03      0.182101D+02      0.202615D+02
   zx         0.428253D+00      0.634605D-01      0.706094D-01
   zy         0.482853D+01      0.715515D+00      0.796117D+00
   zz         0.109974D+03      0.162964D+02      0.181322D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.11970439          0.28759085         -3.25621449
     6         -1.12813503         -1.45880060         -3.09170145
     6          2.31428899          0.99568301         -1.15442982
     6          4.50336006          2.77770400         -1.07728152
     6          1.35558775         -0.10966715          1.30605507
     6         -1.60594247          0.11872988          1.44856461
     6         -1.59661981         -2.24152505         -0.34074717
     6          0.96616146         -2.98731495          0.86507126
     1          1.70352601          0.97621843         -5.09635134
     1         -0.81818787         -3.14500436         -4.25338500
     1         -2.80794615         -0.53424368         -3.87599503
     1          5.03322410          3.41539256         -2.96384426
     1          6.15359602          1.88972941         -0.20101976
     1          4.05278469          4.44084405          0.06844186
     1          2.44518721          0.51387979          2.94091691
     6         -2.86955020          2.54029520          0.55253151
     6         -2.61744122         -0.51606640          4.07881181
     1         -3.17968603         -3.55414210         -0.17674992
     1          0.75278542         -4.05901271          2.60330337
     1          2.34304751         -3.91610837         -0.35094306
     1         -2.19085586          3.16268051         -1.28411378
     1         -2.52916758          4.06706835          1.90231013
     1         -4.91448477          2.27232330          0.42907070
     1         -1.81228831         -2.23749301          4.86695002
     1         -4.66795611         -0.75681813          4.01471388
     1         -2.21208090          1.02492136          5.39274449

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.684292D-01      0.173930D+00      0.580167D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.684292D-01      0.173930D+00      0.580167D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111426D+03      0.165117D+02      0.183717D+02
   aniso      0.156479D+02      0.231878D+01      0.257999D+01
   xx         0.113377D+03      0.168007D+02      0.186933D+02
   yx         0.664516D+01      0.984712D+00      0.109564D+01
   yy         0.105289D+03      0.156023D+02      0.173599D+02
   zx        -0.212896D+01     -0.315480D+00     -0.351018D+00
   zy         0.185281D+01      0.274559D+00      0.305488D+00
   zz         0.115613D+03      0.171320D+02      0.190620D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.119809D+03      0.177538D+02      0.197538D+02
   aniso      0.173073D+02      0.256467D+01      0.285358D+01
   xx         0.122044D+03      0.180851D+02      0.201224D+02
   yx         0.748099D+01      0.110857D+01      0.123345D+01
   yy         0.113111D+03      0.167614D+02      0.186495D+02
   zx        -0.218488D+01     -0.323765D+00     -0.360237D+00
   zy         0.205616D+01      0.304691D+00      0.339014D+00
   zz         0.124271D+03      0.184150D+02      0.204894D+02

 ----------------------------------------------------------------------
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 ALL MEN WHO EXPLORE
 DEPLORE
 THAT FRUSTRATING HURDLE
 THE GIRDLE.

         -- COLIN FLETCHER
 Job cpu time:       0 days  8 hours 47 minutes 48.6 seconds.
 Elapsed time:       0 days  0 hours 33 minutes  2.6 seconds.
 File lengths (MBytes):  RWF=    430 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 18:42:47 2021.
